| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.8 | Very low | 35.1 | Very low | 235 Ų | 235 | 164.6 Ų | 164.6 | 100% | 1.158 | 85% | 0.85 | S | S | * | * | 0 | 108.9 | 0 | -63.8 | 174.8 | 178.6 | 0 | 0 | 107.4 | |||||
| 2 | T | 37.8 | Very low | 34.7 | Very low | 119 Ų | 119 | 161.5 Ų | 161.5 | 73% | 0.73 | 85% | 0.848 | S | S | * | * | cis | -146.9 | 125.6 | -5.9 | 41.6 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 3 | E | 35.7 | Very low | 34.3 | Very low | 174 Ų | 174 | 155.8 Ų | 155.8 | 81% | 0.813 | 83% | 0.83 | S | S | * | * | 60.2 | 128.6 | 78.8 | -68.8 | -175.1 | 134.4 | 0 | 0 | 114.2 | |||||
| 4 | K | 36.9 | Very low | 34 | Very low | 187 Ų | 187 | 158.2 Ų | 158.2 | 81% | 0.813 | 83% | 0.83 | S | S | * | * | trans | 111.7 | 138.3 | 175.1 | -68.4 | -159.1 | 167.3 | -152.2 | 0 | 116.3 | ||||
| 5 | E | 37.7 | Very low | 34.2 | Very low | 159 Ų | 159 | 155.9 Ų | 155.9 | 74% | 0.743 | 83% | 0.828 | S | S | * | * | cis | -161.5 | 145.5 | -29.3 | -127.1 | 171 | 143.4 | 0 | 0 | 106.6 | ||||
| 6 | V | 35 | Very low | 34.1 | Very low | 142 Ų | 142 | 152.3 Ų | 152.3 | 86% | 0.861 | 83% | 0.827 | S | S | * | * | trans | -106.3 | 127.7 | 179.9 | 177.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 7 | L | 34.2 | Very low | 34 | Very low | 176 Ų | 176 | 154.6 Ų | 154.6 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | trans | -89.5 | 124.9 | 175.8 | -85.2 | 164.6 | 0 | 0 | 0 | 111 | ||||
| 8 | E | 31.9 | Very low | 34.1 | Very low | 182 Ų | 182 | 152.5 Ų | 152.5 | 85% | 0.85 | 83% | 0.825 | S | S | * | * | trans | -107.1 | 144.3 | 177.5 | -172.7 | 177.6 | 155 | 0 | 0 | 110 | ||||
| 9 | S | 33.2 | Very low | 34.4 | Very low | 111 Ų | 111 | 157.8 Ų | 157.8 | 78% | 0.776 | 83% | 0.832 | S | S | * | * | trans | -116.1 | 137.1 | -179.9 | -68.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 10 | P | 35.9 | Very low | 34.7 | Very low | 126 Ų | 126 | 157.4 Ų | 157.4 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 162.1 | -163.7 | 33.1 | -37.6 | 0 | 0 | 0 | 115.6 | ||
| 11 | K | 31.5 | Very low | 35.2 | Very low | 200 Ų | 200 | 152.9 Ų | 152.9 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 150.6 | 173.6 | -55.7 | 166.1 | -176.7 | 164.6 | 0 | 111.9 | ||
| 12 | P | 31.3 | Very low | 35.7 | Very low | 127 Ų | 127 | 145 Ų | 145 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 169.3 | 143.6 | 35.1 | -29.3 | 0 | 0 | 0 | 111.2 | ||
| 13 | S | 29.6 | Very low | 36.3 | Very low | 88 Ų | 88 | 146.2 Ų | 146.2 | 62% | 0.615 | 79% | 0.787 | S | S | * | * | trans | -146.4 | 169.4 | -169.7 | 56 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 14 | F | 29.3 | Very low | 36.9 | Very low | 189 Ų | 189 | 144.4 Ų | 144.4 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | trans | 81.7 | 157.8 | 174.3 | -47.7 | -65.1 | 0 | 0 | 0 | 117.2 | ||||
| 15 | P | 36.7 | Very low | 37.5 | Very low | 123 Ų | 123 | 145.8 Ų | 145.8 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | -126.7 | -177.3 | -51.7 | 37.1 | -24.3 | 0 | 0 | 0 | 111.8 | |||||
| 16 | A | 33.4 | Very low | 37.8 | Very low | 98 Ų | 98 | 144.8 Ų | 144.8 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -97.8 | 140.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 17 | E | 32.4 | Very low | 38.6 | Very low | 193 Ų | 193 | 146.1 Ų | 146.1 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -125.9 | 150.6 | 167.6 | -79.7 | -145.7 | 95.4 | 0 | 0 | 113.7 | ||||
| 18 | T | 35.9 | Very low | 39.2 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 71% | 0.712 | 76% | 0.764 | S | S | * | * | trans | -86.4 | 122.1 | -162 | -54.1 | 0 | 0 | 0 | 0 | 112.2 | Q20 | T18-Q20 HydrophobicContact CG2-CG 3.82Å; T18-Q20 PolarHBondContact O-N 2.63Å | ||
| 19 | R | 38.8 | Very low | 39.9 | Very low | 254 Ų | 254 | 144.3 Ų | 144.3 | 96% | 0.958 | 76% | 0.763 | S | S | * | * | trans | -72.1 | 82.4 | 170.5 | -78.8 | -173.6 | 169.2 | -179.1 | -2.9 | 112.1 | ||||
| 20 | Q | 40.6 | Very low | 40.4 | Very low | 148 Ų | 148 | 146.7 Ų | 146.7 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | trans | -81.7 | 132.4 | 173.7 | -67.9 | -162.7 | -2.1 | 0 | 0 | 113.4 | T18 | T18-Q20 HydrophobicContact CG2-CG 3.82Å; T18-Q20 PolarHBondContact O-N 2.63Å | ||
| 21 | S | 45.1 | Very low | 41 | Very low | 63 Ų | 63 | 151.7 Ų | 151.7 | 44% | 0.441 | 77% | 0.768 | S | S | . | * | trans | -1.8 | 113.2 | 167.7 | 63 | 0 | 0 | 0 | 0 | 119.8 | L23 | S21-L23 PolarHBondContact O-N 3.18Š| ||
| 22 | G | 46.1 | Very low | 41.6 | Very low | 70 Ų | 70 | 152.2 Ų | 152.2 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -7.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q24 | G22-Q24 PolarHBondContact O-N 2.92Š|
| 23 | L | 51.1 | Low | 41.6 | Very low | 145 Ų | 145 | 149.4 Ų | 149.4 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -7.5 | -180 | -66.6 | 174.2 | 0 | 0 | 0 | 114.8 | S21 | S21-L23 PolarHBondContact O-N 3.18Š|
| 24 | Q | 48.7 | Very low | 41.7 | Very low | 135 Ų | 135 | 151 Ų | 151 | 63% | 0.631 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -37.9 | 175.9 | -68.1 | -175.2 | -3.7 | 0 | 0 | 112.8 | G22 L26 K27 | G22-Q24 PolarHBondContact O-N 2.92Å; Q24-L26 VanDerWaalsContact C-N 3.28Å; Q24-L26 PolarHBondContact O-N 3.06Å; Q24-K27 PolarHBondContact O-N 2.98Å |
| 25 | R | 48.7 | Very low | 41.8 | Very low | 217 Ų | 217 | 148.7 Ų | 148.7 | 82% | 0.819 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -58.4 | -35.8 | 179.6 | -87.7 | -175.6 | 165.9 | -179.1 | -3.5 | 113.1 | K27 Q28 | R25-K27 PolarHBondContact O-N 2.98Å; R25-Q28 PolarHBondContact O-N 3.47Å |
| 26 | L | 44.7 | Very low | 41.5 | Very low | 138 Ų | 138 | 145.7 Ų | 145.7 | 72% | 0.723 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -69.6 | -14.1 | -178.1 | -126.8 | 80.2 | 0 | 0 | 0 | 114.8 | Q24 | Q24-L26 VanDerWaalsContact C-N 3.28Å; Q24-L26 PolarHBondContact O-N 3.06Å |
| 27 | K | 50.4 | Low | 41.3 | Very low | 170 Ų | 170 | 147.8 Ų | 147.8 | 74% | 0.739 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -88.9 | -11.3 | -179.3 | -70.9 | -174.8 | 176.9 | -179.3 | 0 | 114.1 | Q24 R25 | Q24-K27 PolarHBondContact O-N 2.98Å; R25-K27 PolarHBondContact O-N 2.98Å |
| 28 | Q | 48.4 | Very low | 41.3 | Very low | 163 Ų | 163 | 146.5 Ų | 146.5 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -25.2 | -174.5 | -158.7 | 162.7 | 5.2 | 0 | 0 | 113.1 | R25 L30 | R25-Q28 PolarHBondContact O-N 3.47Å; Q28-L30 VanDerWaalsContact C-N 3.34Å; Q28-L30 PolarHBondContact O-N 2.9Å |
| 29 | L | 45.9 | Very low | 41.2 | Very low | 157 Ų | 157 | 148.4 Ų | 148.4 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -6.5 | -178.5 | -63.8 | 174.1 | 0 | 0 | 0 | 114.7 | ||
| 30 | L | 44.7 | Very low | 41.2 | Very low | 161 Ų | 161 | 144.1 Ų | 144.1 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | 16.3 | -176.4 | -86.5 | 161.3 | 0 | 0 | 0 | 113.7 | Q28 | Q28-L30 VanDerWaalsContact C-N 3.34Å; Q28-L30 PolarHBondContact O-N 2.9Å |
| 31 | R | 48.3 | Very low | 41.1 | Very low | 230 Ų | 230 | 146.2 Ų | 146.2 | 87% | 0.868 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -135.8 | 14.1 | -171.3 | -140.2 | -174.2 | -170.8 | -159.1 | 1.7 | 116.7 | ||
| 32 | K | 43.3 | Very low | 40.9 | Very low | 212 Ų | 212 | 150 Ų | 150 | 92% | 0.922 | 78% | 0.782 | S | S | * | * | trans | -129 | 75.5 | 178.3 | -155.6 | 177.3 | -174.9 | -173.9 | 0 | 112.2 | ||||
| 33 | G | 30.8 | Very low | 41.1 | Very low | 68 Ų | 68 | 152.1 Ų | 152.1 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -147.4 | 144.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 34 | S | 32.1 | Very low | 40.8 | Very low | 121 Ų | 121 | 151.2 Ų | 151.2 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | 63.9 | 114.1 | -161.4 | -162.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 35 | T | 31.2 | Very low | 40.7 | Very low | 140 Ų | 140 | 153.5 Ų | 153.5 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | -137.3 | 172.2 | 50.9 | 46 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 36 | G | 30.5 | Very low | 40.4 | Very low | 61 Ų | 61 | 149.2 Ų | 149.2 | 63% | 0.629 | 80% | 0.796 | S | S | * | * | trans | -140.5 | -154.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 37 | T | 30.4 | Very low | 39.9 | Very low | 141 Ų | 141 | 151.5 Ų | 151.5 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | trans | 89 | 145.6 | -177.3 | 72.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 38 | K | 31.3 | Very low | 39.8 | Very low | 166 Ų | 166 | 148.4 Ų | 148.4 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | trans | 65.9 | 140.2 | 176.4 | -68.7 | -171.4 | 165.8 | -76.9 | 0 | 116.5 | ||||
| 39 | E | 33 | Very low | 39.7 | Very low | 156 Ų | 156 | 147.8 Ų | 147.8 | 73% | 0.729 | 81% | 0.812 | S | S | * | * | cis | -155.7 | 169.2 | -19.5 | -133.9 | 145.6 | -151 | 0 | 0 | 109.2 | ||||
| 40 | M | 40.4 | Very low | 40 | Very low | 164 Ų | 164 | 144.7 Ų | 144.7 | 81% | 0.808 | 82% | 0.817 | S | S | * | * | trans | -111.9 | 112.2 | -178.2 | -177.5 | 176.3 | -178.7 | 0 | 0 | 110.4 | L42 | M40-L42 HydrophobicContact CE-CD2 4.24Š| ||
| 41 | E | 37.8 | Very low | 40.1 | Very low | 192 Ų | 192 | 145.5 Ų | 145.5 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | -108.9 | 145.2 | 165.4 | -73.4 | -167.3 | 98.5 | 0 | 0 | 110.4 | ||||
| 42 | L | 41.6 | Very low | 39.8 | Very low | 143 Ų | 143 | 139.4 Ų | 139.4 | 75% | 0.749 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 143.8 | 177.7 | -75.1 | 159.2 | 0 | 0 | 0 | 109.4 | M40 | M40-L42 HydrophobicContact CE-CD2 4.24Š|
| 43 | P | 48.9 | Very low | 40.1 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 146.2 | 174.7 | 29.8 | -34.6 | 0 | 0 | 0 | 111.2 | ||
| 44 | P | 46.1 | Very low | 41.1 | Very low | 126 Ų | 126 | 133 Ų | 133 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 147.3 | 179.6 | 30.5 | -35.1 | 0 | 0 | 0 | 112.6 | ||
| 45 | E | 45.7 | Very low | 42.3 | Very low | 182 Ų | 182 | 133.1 Ų | 133.1 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 142.2 | 175.2 | -65.2 | -176 | 117.3 | 0 | 0 | 112.4 | ||
| 46 | P | 41.8 | Very low | 43.6 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 140.8 | 174.7 | 32.4 | -33.9 | 0 | 0 | 0 | 112 | ||
| 47 | Q | 36.2 | Very low | 44.7 | Very low | 186 Ų | 186 | 130.7 Ų | 130.7 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | -116.3 | 160.4 | 168.7 | -70.7 | -161.1 | -13.2 | 0 | 0 | 112.4 | N49 | Q47-N49 PolarHBondContact O-N 2.99Š| ||
| 48 | A | 48 | Very low | 45.3 | Very low | 106 Ų | 106 | 126.2 Ų | 126.2 | 88% | 0.876 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -102.3 | 87.8 | -145.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 49 | N | 44.7 | Very low | 46.1 | Very low | 150 Ų | 150 | 123.3 Ų | 123.3 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | -158.8 | 102.1 | 152.7 | 52.1 | -34.9 | 0 | 0 | 0 | 109.7 | Q47 E51 | Q47-N49 PolarHBondContact O-N 2.99Å; N49-E51 PolarHBondContact O-N 2.82Å | ||
| 50 | G | 53.4 | Low | 46.9 | Very low | 91 Ų | 91 | 121 Ų | 121 | 94% | 0.938 | 77% | 0.769 | S | S | * | * | trans | -78.7 | 69.6 | -162 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 51 | E | 46.9 | Very low | 47.3 | Very low | 178 Ų | 178 | 122.6 Ų | 122.6 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | -141.2 | 93 | 164.2 | -117.4 | 179.7 | 117 | 0 | 0 | 111.4 | N49 V53 | N49-E51 PolarHBondContact O-N 2.82Å; E51-V53 PolarHBondContact O-N 2.78Å | ||
| 52 | A | 40.9 | Very low | 47.6 | Very low | 102 Ų | 102 | 122.2 Ų | 122.2 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | trans | -91.8 | 94 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | G54 | A52-G54 PolarHBondContact O-N 3.42Š| ||
| 53 | V | 50.6 | Low | 48.2 | Very low | 117 Ų | 117 | 122.3 Ų | 122.3 | 71% | 0.709 | 76% | 0.759 | S | S | * | * | trans | -76 | 113.8 | 179.3 | -177.8 | 0 | 0 | 0 | 0 | 110.4 | E51 | E51-V53 PolarHBondContact O-N 2.78Š| ||
| 54 | G | 51.6 | Low | 48.3 | Very low | 29 Ų | 29 | 126.7 Ų | 126.7 | 30% | 0.299 | 76% | 0.762 | S | S | . | * | trans | -64.9 | 148.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A52 G56 G57 | A52-G54 PolarHBondContact O-N 3.42Å; G54-G56 PolarHBondContact O-N 2.99Å; G54-G57 PolarHBondContact O-N 2.6Å; G54-G57 VanDerWaalsContact O-N 3.1Å | ||
| 55 | A | 57.8 | Low | 48.7 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 100% | 1.025 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 11.8 | -169.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 56 | G | 58 | Low | 48.9 | Very low | 79 Ų | 79 | 129 Ų | 129 | 81% | 0.814 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.4 | 1.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | G54 G58 | G54-G56 PolarHBondContact O-N 2.99Å; G56-G58 PolarHBondContact O-N 3.13Å |
| 57 | G | 53 | Low | 49.1 | Very low | 71 Ų | 71 | 132 Ų | 132 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 69.1 | 22.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | G54 | G54-G57 PolarHBondContact O-N 2.6Å; G54-G57 VanDerWaalsContact O-N 3.1Å |
| 58 | G | 44.3 | Very low | 49.7 | Very low | 47 Ų | 47 | 131.8 Ų | 131.8 | 49% | 0.485 | 76% | 0.764 | S | S | . | * | S | Bend | trans | -123.7 | 155.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G56 | G56-G58 PolarHBondContact O-N 3.13Š|
| 59 | P | 48.2 | Very low | 49.7 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | trans | -67.3 | 138 | 179 | 28.7 | -34.6 | 0 | 0 | 0 | 111.4 | Y61 | P59-Y61 HydrophobicContact CG-CE2 4.27Š| ||
| 60 | I | 48.1 | Very low | 50.2 | Low | 108 Ų | 108 | 137.3 Ų | 137.3 | 55% | 0.554 | 77% | 0.767 | S | S | * | * | trans | -82.8 | 118.1 | 174.2 | -61.5 | 173.3 | 0 | 0 | 0 | 108.1 | Y62 | I60-Y62 HydrophobicContact CG2-CE2 4.39Š| ||
| 61 | Y | 49.6 | Very low | 50.1 | Low | 198 Ų | 198 | 142 Ų | 142 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | -84.8 | 113.7 | 169.2 | -68.9 | -86 | 0 | 0 | 0 | 109.1 | P59 I63 | P59-Y61 HydrophobicContact CG-CE2 4.27Å; Y61-I63 PolarHBondContact O-N 2.99Å | ||
| 62 | Y | 44.2 | Very low | 50.6 | Low | 183 Ų | 183 | 142.9 Ų | 142.9 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | trans | -74.5 | 110.6 | 165.5 | -65.5 | -85.5 | 0 | 0 | 0 | 108.2 | I60 Y64 | I60-Y62 HydrophobicContact CG2-CE2 4.39Å; Y62-Y64 PolarHBondContact O-N 3.1Å | ||
| 63 | I | 53.3 | Low | 51.4 | Low | 145 Ų | 145 | 147 Ų | 147 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | trans | -76.5 | 116.1 | 163.2 | -60.9 | 173.5 | 0 | 0 | 0 | 105.4 | Y61 E65 | Y61-I63 PolarHBondContact O-N 2.99Å; I63-E65 HydrophobicContact CG2-CG 4.23Å; I63-E65 PolarHBondContact O-N 3.07Å | ||
| 64 | Y | 51.3 | Low | 51.7 | Low | 207 Ų | 207 | 150.1 Ų | 150.1 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | trans | -76.5 | 101.3 | 164 | -70.3 | -93.2 | 0 | 0 | 0 | 106.4 | Y62 E66 | Y62-Y64 PolarHBondContact O-N 3.1Å; Y64-E66 PolarHBondContact O-N 3.25Å | ||
| 65 | E | 54.5 | Low | 52.1 | Low | 172 Ų | 172 | 157.6 Ų | 157.6 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -70.1 | 116.8 | 159.7 | -66.3 | -179.8 | 164.3 | 0 | 0 | 105.6 | I63 E67 | I63-E65 HydrophobicContact CG2-CG 4.23Å; I63-E65 PolarHBondContact O-N 3.07Å; E65-E67 PolarHBondContact O-N 3.15Å; E65-E67 VanDerWaalsContact O-N 3.15Å | ||
| 66 | E | 50.2 | Low | 52.4 | Low | 186 Ų | 186 | 159.9 Ų | 159.9 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -69.5 | 109 | 174.5 | -70.6 | 178.5 | 132.3 | 0 | 0 | 107.3 | Y64 E68 | Y64-E66 PolarHBondContact O-N 3.25Å; E66-E68 VanDerWaalsContact C-N 3.32Å; E66-E68 PolarHBondContact O-N 2.88Å | ||
| 67 | E | 47.2 | Very low | 52.5 | Low | 188 Ų | 188 | 161.8 Ų | 161.8 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | trans | -65.8 | 94.9 | 168.7 | -67.6 | -178.5 | 145.7 | 0 | 0 | 107.5 | E65 E69 | E65-E67 PolarHBondContact O-N 3.15Å; E65-E67 VanDerWaalsContact O-N 3.15Å; E67-E69 PolarHBondContact O-N 2.94Å | ||
| 68 | E | 48.9 | Very low | 52.9 | Low | 182 Ų | 182 | 166.1 Ų | 166.1 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | -59.6 | 108.7 | 163.9 | -78.4 | -172.3 | 124.1 | 0 | 0 | 107.4 | E66 E70 | E66-E68 VanDerWaalsContact C-N 3.32Å; E66-E68 PolarHBondContact O-N 2.88Å; E68-E70 VanDerWaalsContact C-N 3.33Å; E68-E70 PolarHBondContact O-N 3.07Å | ||
| 69 | E | 47.9 | Very low | 53.7 | Low | 187 Ų | 187 | 169.6 Ų | 169.6 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -63.4 | 95.7 | 169 | -68 | -175.6 | 132.6 | 0 | 0 | 107.9 | E67 E71 | E67-E69 PolarHBondContact O-N 2.94Å; E69-E71 PolarHBondContact O-N 2.92Å | ||
| 70 | E | 53.4 | Low | 54.4 | Low | 186 Ų | 186 | 171 Ų | 171 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | trans | -60.1 | 99.5 | 167.2 | -72.8 | -169.2 | 148.2 | 0 | 0 | 108 | E68 E72 | E68-E70 VanDerWaalsContact C-N 3.33Å; E68-E70 PolarHBondContact O-N 3.07Å; E70-E72 PolarHBondContact O-N 2.99Å | ||
| 71 | E | 53.2 | Low | 54.8 | Low | 190 Ų | 190 | 171.1 Ų | 171.1 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | trans | -58.2 | 107.6 | 174.9 | -68.3 | -172.8 | 134.4 | 0 | 0 | 109.3 | E69 E73 | E69-E71 PolarHBondContact O-N 2.92Å; E71-E73 PolarHBondContact O-N 3.48Å | ||
| 72 | E | 56 | Low | 55.1 | Low | 195 Ų | 195 | 167.4 Ų | 167.4 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | trans | -62.3 | 101.5 | 171.6 | -76.5 | -165.4 | 134.3 | 0 | 0 | 109.2 | E70 E74 | E70-E72 PolarHBondContact O-N 2.99Å; E72-E74 PolarHBondContact O-N 2.96Å | ||
| 73 | E | 57.8 | Low | 55.5 | Low | 190 Ų | 190 | 165.5 Ų | 165.5 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | trans | -60.8 | 106.4 | 177.7 | -171 | 175.7 | -158.7 | 0 | 0 | 110 | E71 E75 | E71-E73 PolarHBondContact O-N 3.48Å; E73-E75 PolarHBondContact O-N 2.94Å | ||
| 74 | E | 58.2 | Low | 55.7 | Low | 182 Ų | 182 | 166.6 Ų | 166.6 | 85% | 0.85 | 82% | 0.818 | S | S | * | * | trans | -64.7 | 100 | -176 | -171.4 | 179.8 | -177.1 | 0 | 0 | 110.7 | E72 E76 | E72-E74 PolarHBondContact O-N 2.96Å; E74-E76 PolarHBondContact O-N 2.81Å | ||
| 75 | E | 59.3 | Low | 55.9 | Low | 185 Ų | 185 | 162.6 Ų | 162.6 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | -58.5 | 108.6 | -177.7 | -171.2 | 179.8 | -153.1 | 0 | 0 | 110.9 | E73 | E73-E75 PolarHBondContact O-N 2.94Š| ||
| 76 | E | 64.4 | Low | 56.3 | Low | 173 Ų | 173 | 155.9 Ų | 155.9 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | -52.6 | 133 | -172.1 | -77.4 | -162.2 | 149.6 | 0 | 0 | 112.4 | E74 L78 | E74-E76 PolarHBondContact O-N 2.81Å; E76-L78 PolarHBondContact O-N 2.83Å | ||
| 77 | P | 60.2 | Low | 57.1 | Low | 118 Ų | 118 | 152.5 Ų | 152.5 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | trans | -64.5 | 113.7 | -178.2 | 25.6 | -34.1 | 0 | 0 | 0 | 111.1 | ||||
| 78 | L | 60.1 | Low | 58.5 | Low | 162 Ų | 162 | 149.2 Ų | 149.2 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | trans | -42.4 | 126.2 | -178.1 | -68.9 | 176.3 | 0 | 0 | 0 | 112.2 | E76 E80 | E76-L78 PolarHBondContact O-N 2.83Å; L78-E80 PolarHBondContact O-N 3.08Å | ||
| 79 | P | 61.4 | Low | 60 | Low | 120 Ų | 120 | 143.9 Ų | 143.9 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 128.7 | -169.3 | 22.3 | -33.6 | 0 | 0 | 0 | 111.8 | ||
| 80 | E | 63.6 | Low | 61.7 | Low | 135 Ų | 135 | 135.7 Ų | 135.7 | 63% | 0.631 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 134.3 | 177.3 | -74.7 | -167.5 | 122.4 | 0 | 0 | 110.8 | L78 K83 | L78-E80 PolarHBondContact O-N 3.08Å; E80-K83 WeakPolarHBondContact OE1-CE 3.41Å; E80-K83 IonicContact OE1-NZ 2.75Å; E80-K83 PolarHBondContact OE1-NZ 3.06Å; E80-K83 WeakPolarHBondContact OE2-CE 3.43Å; E80-K83 IonicContact OE2-NZ 2.75Å; E80-K83 PolarHBondContact OE2-NZ 3.35Å |
| 81 | P | 55.6 | Low | 63.3 | Low | 109 Ų | 109 | 133.3 Ų | 133.3 | 71% | 0.708 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 131.9 | 177.6 | 24.7 | -33.6 | 0 | 0 | 0 | 109.6 | K83 | P81-K83 PolarHBondContact O-N 3.14Š|
| 82 | P | 57.1 | Low | 65.1 | Low | 120 Ų | 120 | 125.9 Ų | 125.9 | 78% | 0.779 | 65% | 0.65 | S | S | * | * | trans | -59.5 | 108.5 | -167.6 | 20.7 | -32.9 | 0 | 0 | 0 | 111.3 | L84 | P82-L84 PolarHBondContact O-N 2.88Å; P82-L84 VanDerWaalsContact O-N 3.1Å | ||
| 83 | K | 52 | Low | 66.7 | Low | 143 Ų | 143 | 122.8 Ų | 122.8 | 62% | 0.622 | 63% | 0.633 | S | S | * | * | trans | -56.4 | 115 | 179.9 | -70.8 | 160.6 | 179.8 | 162.2 | 0 | 108.3 | E80 P81 V85 | E80-K83 WeakPolarHBondContact OE1-CE 3.41Å; E80-K83 IonicContact OE1-NZ 2.75Å; E80-K83 PolarHBondContact OE1-NZ 3.06Å; E80-K83 WeakPolarHBondContact OE2-CE 3.43Å; E80-K83 IonicContact OE2-NZ 2.75Å; E80-K83 PolarHBondContact OE2-NZ 3.35Å; P81-K83 PolarHBondContact O-N 3.14Å; K83-V85 WeakPolarHBondContact O-CG2 3.33Å; K83-V85 PolarHBondContact O-N 3.29Å | ||
| 84 | L | 56.8 | Low | 68.2 | Low | 168 Ų | 168 | 118.3 Ų | 118.3 | 88% | 0.88 | 62% | 0.616 | S | S | * | * | trans | -63.8 | 91.3 | -174.2 | -76.4 | 171.5 | 0 | 0 | 0 | 111.4 | P82 N86 | P82-L84 PolarHBondContact O-N 2.88Å; P82-L84 VanDerWaalsContact O-N 3.1Å; L84-N86 PolarHBondContact O-N 2.99Å | ||
| 85 | V | 55.6 | Low | 69.5 | Low | 124 Ų | 124 | 112.5 Ų | 112.5 | 75% | 0.752 | 59% | 0.588 | S | S | * | * | trans | -67.5 | 119.4 | 178.8 | -173.9 | 0 | 0 | 0 | 0 | 109.4 | K83 D87 | K83-V85 WeakPolarHBondContact O-CG2 3.33Å; K83-V85 PolarHBondContact O-N 3.29Å; V85-D87 PolarHBondContact O-N 2.64Å | ||
| 86 | N | 63.7 | Low | 70.7 | Confident | 30 Ų | 30 | 109.3 Ų | 109.3 | 16% | 0.16 | 57% | 0.572 | C | S | . | * | trans | -77.8 | 99.8 | 173.9 | -179.7 | -2.5 | 0 | 0 | 0 | 109.8 | L84 K88 P89 E136 Q138 | L84-N86 PolarHBondContact O-N 2.99Å; N86-K88 PolarHBondContact O-N 2.74Å; N86-K88 PolarHBondContact OD1-N 2.83Å; N86-K88 PolarHBondContact OD1-O 2.73Å; N86-P89 WeakPolarHBondContact O-CD 3.43Å; N86-E136 PolarHBondContact ND2-O 2.93Å; N86-Q138 VanDerWaalsContact ND2-C 3.34Å; N86-Q138 PolarHBondContact ND2-O 2.93Å | ||
| 87 | D | 67.4 | Low | 71.6 | Confident | 115 Ų | 115 | 101.2 Ų | 101.2 | 62% | 0.615 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -45.5 | -30.7 | 179.5 | -57.1 | -27.1 | 0 | 0 | 0 | 115 | V85 R139 | V85-D87 PolarHBondContact O-N 2.64Å; D87-R139 IonicContact OD2-CZ 2.69Å; D87-R139 IonicContact OD2-NH1 3.21Å; D87-R139 PolarHBondContact OD2-NH1 3.19Å |
| 88 | K | 75.9 | Confident | 72.5 | Confident | 119 Ų | 119 | 104.5 Ų | 104.5 | 52% | 0.517 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -140 | 76 | -171.9 | -61.1 | -169.1 | -177.7 | -171.9 | 0 | 109.8 | N86 R139 C140 | N86-K88 PolarHBondContact O-N 2.74Å; N86-K88 PolarHBondContact OD1-N 2.83Å; N86-K88 PolarHBondContact OD1-O 2.73Å; K88-R139 HydrophobicContact CB-CG 4.25Å; K88-C140 WeakPolarHBondContact O-CA 3.24Å; K88-C140 WeakPolarHBondContact O-CB 3.39Å; K88-C140 PolarHBondContact O-N 2.63Å |
| 89 | P | 81 | Confident | 73.5 | Confident | 70 Ų | 70 | 104.7 Ų | 104.7 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | trans | -69.8 | 153.6 | -176.1 | 29.6 | -34 | 0 | 0 | 0 | 112.2 | N86 K91 | N86-P89 WeakPolarHBondContact O-CD 3.43Å; P89-K91 PolarHBondContact O-N 3.26Å | ||
| 90 | H | 83.6 | Confident | 74.4 | Confident | 16 Ų | 16 | 103.1 Ų | 103.1 | 7% | 0.074 | 52% | 0.52 | C | S | . | . | trans | -72.7 | 109 | 177 | -85.1 | -111.3 | 0 | 0 | 0 | 111.3 | F92 C123 V135 Q138 C140 | H90-F92 VanDerWaalsContact C-N 3.33Å; H90-F92 HydrophobicContact CB-CD2 3.77Å; H90-F92 HydrophobicContact CB-CE2 3.28Å; H90-F92 HydrophobicContact CB-CZ 3.73Å; H90-F92 AromaticContact ND1-CZ 3.84Å; H90-F92 WeakPolarHBondContact O-CD2 3.13Å; H90-F92 PolarHBondContact O-N 2.84Å; H90-C123 PolarHBondContact CE1-SG 2.95Å; H90-C123 PolarHBondContact ND1-SG 2.85Å; H90-C123 VanDerWaalsContact ND1-SG 3.41Å; H90-V135 HydrophobicContact CB-CG1 4.4Å; H90-Q138 PolarHBondContact CD2-O 3.11Å; H90-Q138 VanDerWaalsContact CD2-O 3.31Å; H90-C140 HydrophobicContact CB-CB 4.46Å; H90-C140 VanDerWaalsContact CD2-CB 3.43Å; H90-C140 WeakPolarHBondContact CD2-CB 3.44Å; H90-C140 WeakPolarHBondContact NE2-CA 3.35Å | ||
| 91 | K | 86.5 | Confident | 75.4 | Confident | 136 Ų | 136 | 101.2 Ų | 101.2 | 59% | 0.591 | 51% | 0.51 | S | S | * | . | trans | -74.8 | 82.3 | 172.7 | -61.9 | -167 | 178.4 | -171.6 | 0 | 111 | P89 C120 K121 | P89-K91 PolarHBondContact O-N 3.26Å; K91-C120 WeakPolarHBondContact O-CA 3.28Å; K91-K121 PolarHBondContact O-N 3.35Å | ||
| 92 | F | 90.3 | Very high | 76.8 | Confident | 33 Ų | 33 | 101.8 Ų | 101.8 | 15% | 0.145 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 155.7 | 174 | -71 | -71.8 | 0 | 0 | 0 | 112.6 | H90 L118 R119 C120 I127 Q132 V135 | H90-F92 VanDerWaalsContact C-N 3.33Å; H90-F92 HydrophobicContact CB-CD2 3.77Å; H90-F92 HydrophobicContact CB-CE2 3.28Å; H90-F92 HydrophobicContact CB-CZ 3.73Å; H90-F92 AromaticContact ND1-CZ 3.84Å; H90-F92 WeakPolarHBondContact O-CD2 3.13Å; H90-F92 PolarHBondContact O-N 2.84Å; F92-L118 HydrophobicContact CB-CB 4.24Å; F92-L118 HydrophobicContact CD1-CB 3.82Å; F92-L118 HydrophobicContact CG-CB 4.24Å; F92-R119 CarbonylContact C-O 3.53Å; F92-R119 WeakPolarHBondContact CA-O 3.48Å; F92-C120 HydrophobicContact CD1-CB 3.87Å; F92-C120 HydrophobicContact CE1-CB 3.74Å; F92-C120 HydrophobicContact CZ-CB 4.38Å; F92-I127 HydrophobicContact CD1-CD1 4.18Å; F92-I127 HydrophobicContact CD1-CG1 4.31Å; F92-I127 HydrophobicContact CE1-CD1 3.52Å; F92-I127 HydrophobicContact CE1-CG1 3.76Å; F92-I127 HydrophobicContact CE2-CD1 3.91Å; F92-I127 HydrophobicContact CZ-CD1 3.37Å; F92-I127 HydrophobicContact CZ-CG1 4.14Å; F92-Q132 HydrophobicContact CD2-CG 4.28Å; F92-V135 HydrophobicContact CE2-CB 4.2Å; F92-V135 HydrophobicContact CE2-CG1 4.15Å; F92-V135 HydrophobicContact CZ-CB 4.15Å; F92-V135 HydrophobicContact CZ-CG1 3.89Å |
| 93 | K | 89.9 | Confident | 78.3 | Confident | 130 Ų | 130 | 96.2 Ų | 96.2 | 57% | 0.565 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 145.8 | 161.2 | -178.5 | 173 | 179.6 | 176.1 | 0 | 108.8 | R119 | K93-R119 PolarHBondContact N-O 2.79Å; K93-R119 PolarHBondContact O-N 2.87Å |
| 94 | D | 89.9 | Confident | 79.8 | Confident | 97 Ų | 97 | 92 Ų | 92 | 52% | 0.519 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -46.4 | 135.7 | 171.4 | -46.3 | -14 | 0 | 0 | 0 | 112.5 | F116 L118 | D94-F116 HydrophobicContact CB-CE2 3.74Å; D94-F116 HydrophobicContact CB-CZ 3.72Å; D94-L118 WeakPolarHBondContact OD1-CD2 3.25Å |
| 95 | H | 84.6 | Confident | 81.1 | Confident | 60 Ų | 60 | 85.6 Ų | 85.6 | 28% | 0.278 | 42% | 0.417 | S | S | . | . | trans | -150 | 112.7 | -178.1 | 179.1 | -73.1 | 0 | 0 | 0 | 111.8 | F97 G117 R119 | H95-F97 HydrophobicContact CB-CZ 4.28Å; H95-F97 AromaticContact CE1-CD1 3.84Å; H95-F97 AromaticContact CE1-CE1 3.98Å; H95-F97 AromaticContact ND1-CD1 3.44Å; H95-F97 WeakPolarHBondContact ND1-CD1 2.85Å; H95-F97 AromaticContact ND1-CE1 3.32Å; H95-F97 VanDerWaalsContact ND1-CE1 3.32Å; H95-F97 WeakPolarHBondContact ND1-CE1 3.5Å; H95-F97 AromaticContact ND1-CG 3.9Å; H95-F97 AromaticContact ND1-CZ 3.66Å; H95-F97 WeakPolarHBondContact O-CD2 3.42Å; H95-F97 WeakPolarHBondContact O-CE2 3.3Å; H95-F97 PolarHBondContact O-N 2.87Å; H95-G117 PolarHBondContact N-O 2.97Å; H95-R119 HydrophobicContact CB-CB 3.9Å; H95-R119 PolarHBondContact CD2-NH1 3.21Å; H95-R119 PolarHBondContact CE1-NH2 2.8Å; H95-R119 PolarHBondContact NE2-NH1 2.97Å | ||
| 96 | F | 86.1 | Confident | 82.5 | Confident | 117 Ų | 117 | 81.8 Ų | 81.8 | 51% | 0.513 | 40% | 0.395 | S | S | . | . | trans | -69.6 | 122.7 | 173.9 | -177.6 | -90.9 | 0 | 0 | 0 | 112.5 | K98 N114 K115 | F96-K98 HydrophobicContact CD1-CG 4.31Å; F96-K98 HydrophobicContact CE1-CG 4.4Å; F96-K98 PolarHBondContact O-N 3.38Å; F96-N114 VanDerWaalsContact CD2-O 3.23Å; F96-N114 WeakPolarHBondContact CD2-O 3.31Å; F96-N114 WeakPolarHBondContact CE2-O 3.46Å; F96-K115 HydrophobicContact CE2-CB 4.14Å; F96-K115 HydrophobicContact CZ-CB 4.36Å; F96-K115 HydrophobicContact CZ-CD 4.36Å | ||
| 97 | F | 81.4 | Confident | 83.5 | Confident | 4 Ų | 4 | 84 Ų | 84 | 2% | 0.018 | 42% | 0.418 | C | S | . | . | trans | -91.7 | 93.9 | -174.1 | -66.7 | -76.5 | 0 | 0 | 0 | 112.9 | H95 K99 K101 I110 K115 N126 | H95-F97 HydrophobicContact CB-CZ 4.28Å; H95-F97 AromaticContact CE1-CD1 3.84Å; H95-F97 AromaticContact CE1-CE1 3.98Å; H95-F97 AromaticContact ND1-CD1 3.44Å; H95-F97 WeakPolarHBondContact ND1-CD1 2.85Å; H95-F97 AromaticContact ND1-CE1 3.32Å; H95-F97 VanDerWaalsContact ND1-CE1 3.32Å; H95-F97 WeakPolarHBondContact ND1-CE1 3.5Å; H95-F97 AromaticContact ND1-CG 3.9Å; H95-F97 AromaticContact ND1-CZ 3.66Å; H95-F97 WeakPolarHBondContact O-CD2 3.42Å; H95-F97 WeakPolarHBondContact O-CE2 3.3Å; H95-F97 PolarHBondContact O-N 2.87Å; F97-K99 PolarHBondContact O-N 2.92Å; F97-K99 VanDerWaalsContact O-N 3.17Å; F97-K101 HydrophobicContact CD1-CB 4.11Å; F97-K101 HydrophobicContact CD1-CG 3.62Å; F97-K101 HydrophobicContact CE1-CB 4.39Å; F97-K101 HydrophobicContact CE1-CG 4.05Å; F97-K101 HydrophobicContact CG-CG 4.37Å; F97-I110 HydrophobicContact CD2-CG2 3.82Å; F97-I110 HydrophobicContact CE2-CD1 4.06Å; F97-I110 HydrophobicContact CE2-CG2 4.02Å; F97-I110 HydrophobicContact CZ-CD1 4.29Å; F97-K115 WeakPolarHBondContact CD2-O 3.23Å; F97-K115 PolarHBondContact N-O 2.88Å; F97-N126 HydrophobicContact CE1-CB 3.98Å; F97-N126 WeakPolarHBondContact CE1-OD1 3.45Å; F97-N126 HydrophobicContact CZ-CB 3.83Å | ||
| 98 | K | 80.9 | Confident | 84.3 | Confident | 187 Ų | 187 | 87.6 Ų | 87.6 | 81% | 0.813 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -54.3 | -33.4 | 176.3 | -65.8 | -167.7 | 178.2 | -171.2 | 0 | 114.2 | F96 | F96-K98 HydrophobicContact CD1-CG 4.31Å; F96-K98 HydrophobicContact CE1-CG 4.4Å; F96-K98 PolarHBondContact O-N 3.38Å |
| 99 | K | 79.7 | Confident | 84.8 | Confident | 166 Ų | 166 | 85.6 Ų | 85.6 | 72% | 0.722 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -117.9 | 145.7 | 171.3 | -67.6 | -171.2 | 176.7 | -171.9 | 0 | 109 | F97 | F97-K99 PolarHBondContact O-N 2.92Å; F97-K99 VanDerWaalsContact O-N 3.17Å |
| 100 | P | 80.9 | Confident | 84.9 | Confident | 86 Ų | 86 | 82.3 Ų | 82.3 | 56% | 0.558 | 40% | 0.395 | S | S | * | . | trans | -52.4 | 140.6 | 177 | -25.9 | 34.2 | 0 | 0 | 0 | 112.7 | M109 | P100-M109 HydrophobicContact CB-CG 4.24Å; P100-M109 HydrophobicContact CB-SD 3.73Å; P100-M109 HydrophobicContact CG-SD 4.5Å | ||
| 101 | K | 83.8 | Confident | 84.4 | Confident | 96 Ų | 96 | 85.6 Ų | 85.6 | 42% | 0.417 | 42% | 0.416 | S | S | . | . | trans | -130.4 | 152.8 | 173.5 | -72.1 | -60.3 | -175.5 | -177.6 | 0 | 109.3 | F97 M109 I110 | F97-K101 HydrophobicContact CD1-CB 4.11Å; F97-K101 HydrophobicContact CD1-CG 3.62Å; F97-K101 HydrophobicContact CE1-CB 4.39Å; F97-K101 HydrophobicContact CE1-CG 4.05Å; F97-K101 HydrophobicContact CG-CG 4.37Å; K101-M109 CarbonylContact O-C 3.48Å; K101-M109 WeakPolarHBondContact O-CG 3.12Å; K101-I110 HydrophobicContact CB-CD1 4.32Å; K101-I110 PolarHBondContact O-N 3.33Å | ||
| 102 | F | 86.3 | Confident | 83.1 | Confident | 121 Ų | 121 | 85.2 Ų | 85.2 | 53% | 0.531 | 42% | 0.42 | S | S | . | . | B | Isolated β-bridge | trans | -92.1 | 148.8 | 168.3 | -63.3 | -83.2 | 0 | 0 | 0 | 109 | A107 R108 M109 | F102-A107 VanDerWaalsContact CD1-O 3.29Å; F102-A107 WeakPolarHBondContact CD1-O 3.48Å; F102-R108 WeakPolarHBondContact CA-O 3.35Å; F102-M109 HydrophobicContact CD1-CB 4.08Å; F102-M109 HydrophobicContact CD1-CG 4.31Å; F102-M109 HydrophobicContact CE1-CB 4.01Å; F102-M109 HydrophobicContact CE1-CE 3.9Å; F102-M109 HydrophobicContact CE1-CG 4.14Å; F102-M109 HydrophobicContact CZ-CE 3.83Å |
| 103 | C | 87.4 | Confident | 81.6 | Confident | 2 Ų | 2 | 91.4 Ų | 91.4 | 1% | 0.014 | 45% | 0.454 | C | S | . | . | trans | -75.9 | 123.9 | 172.3 | 173.7 | 0 | 0 | 0 | 0 | 109.1 | V105 C106 A107 R108 I110 N126 I127 H128 C131 | C103-V105 PolarHBondContact O-N 3.45Å; C103-V105 VanDerWaalsContact O-N 3.08Å; C103-C106 VanDerWaalsContact SG-SG 3.63Å; C103-A107 VanDerWaalsContact O-CA 3.28Å; C103-A107 WeakPolarHBondContact O-CA 3.49Å; C103-A107 PolarHBondContact O-N 3.3Å; C103-R108 PolarHBondContact N-O 3.36Å; C103-I110 HydrophobicContact CB-CD1 4.38Å; C103-I110 HydrophobicContact CB-CG1 4.09Å; C103-N126 WeakPolarHBondContact CA-O 3.34Å; C103-I127 VanDerWaalsContact SG-CA 3.59Å; C103-H128 WeakPolarHBondContact CB-CE1 3.5Å; C103-H128 WeakPolarHBondContact CB-ND1 3.4Å; C103-H128 PolarHBondContact SG-ND1 2.79Å; C103-C131 VanDerWaalsContact SG-SG 3.66Å | ||
| 104 | D | 84.6 | Confident | 80.4 | Confident | 54 Ų | 54 | 91.1 Ų | 91.1 | 29% | 0.289 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -8.9 | -176.3 | -66 | -54.1 | 0 | 0 | 0 | 113.4 | T125 N126 Y152 | D104-T125 HydrophobicContact CB-CG2 3.6Å; D104-T125 VanDerWaalsContact OD2-CA 3.31Å; D104-T125 WeakPolarHBondContact OD2-CA 3.34Å; D104-T125 VanDerWaalsContact OD2-CG2 3.29Å; D104-T125 WeakPolarHBondContact OD2-CG2 3.38Å; D104-N126 PolarHBondContact N-O 3.45Å; D104-N126 PolarHBondContact OD2-N 3.42Å; D104-Y152 HydrophobicContact CB-CD2 3.88Å; D104-Y152 HydrophobicContact CB-CE2 4.15Å; D104-Y152 WeakPolarHBondContact O-CB 3.44Å |
| 105 | V | 84.3 | Confident | 79.5 | Confident | 35 Ų | 35 | 91.5 Ų | 91.5 | 21% | 0.212 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -62.2 | 176.6 | 176.7 | 0 | 0 | 0 | 0 | 112 | C103 I127 C131 Y134 V135 | C103-V105 PolarHBondContact O-N 3.45Å; C103-V105 VanDerWaalsContact O-N 3.08Å; V105-I127 HydrophobicContact CG2-CG2 3.75Å; V105-C131 HydrophobicContact CB-CB 4.23Å; V105-C131 HydrophobicContact CG1-CB 4.42Å; V105-C131 HydrophobicContact CG2-CB 4.44Å; V105-Y134 HydrophobicContact CG1-CG 4.42Å; V105-V135 HydrophobicContact CG2-CG2 3.27Å |
| 106 | C | 84.4 | Confident | 79.3 | Confident | 44 Ų | 44 | 92.4 Ų | 92.4 | 30% | 0.297 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 2.2 | -171.7 | 72.7 | 0 | 0 | 0 | 0 | 114 | C103 R108 H128 | C103-C106 VanDerWaalsContact SG-SG 3.63Å; C106-R108 PolarHBondContact O-N 3.08Å; C106-H128 PolarHBondContact SG-CE1 2.9Å; C106-H128 PolarHBondContact SG-ND1 3.38Å; C106-H128 VanDerWaalsContact SG-ND1 3.37Å |
| 107 | A | 84.5 | Confident | 79.4 | Confident | 77 Ų | 77 | 86.9 Ų | 86.9 | 64% | 0.636 | 44% | 0.435 | S | S | * | . | trans | 57.6 | -4.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | F102 C103 | F102-A107 VanDerWaalsContact CD1-O 3.29Å; F102-A107 WeakPolarHBondContact CD1-O 3.48Å; C103-A107 VanDerWaalsContact O-CA 3.28Å; C103-A107 WeakPolarHBondContact O-CA 3.49Å; C103-A107 PolarHBondContact O-N 3.3Å | ||
| 108 | R | 83.6 | Confident | 79.8 | Confident | 189 Ų | 189 | 87 Ų | 87 | 71% | 0.713 | 44% | 0.436 | S | S | * | . | trans | -76.5 | 157.9 | 176.8 | -61.7 | 177.8 | -173.6 | 142.4 | 1.5 | 111.8 | F102 C103 C106 | F102-R108 WeakPolarHBondContact CA-O 3.35Å; C103-R108 PolarHBondContact N-O 3.36Å; C106-R108 PolarHBondContact O-N 3.08Å | ||
| 109 | M | 86.2 | Confident | 80.1 | Confident | 78 Ų | 78 | 81.6 Ų | 81.6 | 38% | 0.384 | 41% | 0.41 | S | S | . | . | B | Isolated β-bridge | trans | -72.5 | 142.1 | -179 | -152.9 | -175.2 | -67.2 | 0 | 0 | 111.9 | P100 K101 F102 V111 H128 | P100-M109 HydrophobicContact CB-CG 4.24Å; P100-M109 HydrophobicContact CB-SD 3.73Å; P100-M109 HydrophobicContact CG-SD 4.5Å; K101-M109 CarbonylContact O-C 3.48Å; K101-M109 WeakPolarHBondContact O-CG 3.12Å; F102-M109 HydrophobicContact CD1-CB 4.08Å; F102-M109 HydrophobicContact CD1-CG 4.31Å; F102-M109 HydrophobicContact CE1-CB 4.01Å; F102-M109 HydrophobicContact CE1-CE 3.9Å; F102-M109 HydrophobicContact CE1-CG 4.14Å; F102-M109 HydrophobicContact CZ-CE 3.83Å; M109-V111 HydrophobicContact CB-CG1 4.29Å; M109-V111 HydrophobicContact CB-CG2 4.14Å; M109-V111 HydrophobicContact CG-CG1 3.8Å; M109-V111 PolarHBondContact O-N 3.09Å; M109-V111 VanDerWaalsContact O-N 3.16Å; M109-V111 HydrophobicContact SD-CG1 3.57Å; M109-V111 VanDerWaalsContact SD-CG1 3.57Å; M109-H128 PolarHBondContact O-NE2 3.1Å |
| 110 | I | 84.6 | Confident | 80.6 | Confident | 1 Ų | 1 | 73.7 Ų | 73.7 | 1% | 0.005 | 38% | 0.376 | C | S | . | . | trans | -85.2 | 82.6 | 175.3 | -54 | 176.6 | 0 | 0 | 0 | 108 | F97 K101 C103 F116 N126 | F97-I110 HydrophobicContact CD2-CG2 3.82Å; F97-I110 HydrophobicContact CE2-CD1 4.06Å; F97-I110 HydrophobicContact CE2-CG2 4.02Å; F97-I110 HydrophobicContact CZ-CD1 4.29Å; K101-I110 HydrophobicContact CB-CD1 4.32Å; K101-I110 PolarHBondContact O-N 3.33Å; C103-I110 HydrophobicContact CB-CD1 4.38Å; C103-I110 HydrophobicContact CB-CG1 4.09Å; I110-F116 WeakPolarHBondContact CG2-O 3.26Å; I110-N126 HydrophobicContact CD1-CB 4.14Å | ||
| 111 | V | 72.8 | Confident | 80.8 | Confident | 84 Ų | 84 | 76.4 Ų | 76.4 | 51% | 0.509 | 38% | 0.379 | S | S | . | . | trans | -133 | 11.2 | -176.7 | -70.2 | 0 | 0 | 0 | 0 | 114.1 | M109 | M109-V111 HydrophobicContact CB-CG1 4.29Å; M109-V111 HydrophobicContact CB-CG2 4.14Å; M109-V111 HydrophobicContact CG-CG1 3.8Å; M109-V111 PolarHBondContact O-N 3.09Å; M109-V111 VanDerWaalsContact O-N 3.16Å; M109-V111 HydrophobicContact SD-CG1 3.57Å; M109-V111 VanDerWaalsContact SD-CG1 3.57Å | ||
| 112 | L | 59.1 | Low | 80.8 | Confident | 129 Ų | 129 | 75 Ų | 75 | 68% | 0.675 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -53.5 | 146.3 | 167.9 | -117.6 | 72 | 0 | 0 | 0 | 110.1 | N114 K115 | L112-N114 PolarHBondContact O-N 3.28Å; L112-K115 PolarHBondContact O-N 3.34Å |
| 113 | N | 58.6 | Low | 80.7 | Confident | 163 Ų | 163 | 69.6 Ų | 69.6 | 87% | 0.872 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -40.7 | -5.7 | -152.3 | -67.9 | 11.4 | 0 | 0 | 0 | 121.3 | ||
| 114 | N | 64.8 | Low | 80.6 | Confident | 124 Ų | 124 | 76.8 Ų | 76.8 | 66% | 0.663 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.5 | 22 | 174.2 | -84.3 | -52.2 | 0 | 0 | 0 | 114.3 | F96 L112 F116 | F96-N114 VanDerWaalsContact CD2-O 3.23Å; F96-N114 WeakPolarHBondContact CD2-O 3.31Å; F96-N114 WeakPolarHBondContact CE2-O 3.46Å; L112-N114 PolarHBondContact O-N 3.28Å; N114-F116 HydrophobicContact CB-CB 4.31Å; N114-F116 PolarHBondContact O-N 3.45Å |
| 115 | K | 70.2 | Confident | 80.6 | Confident | 105 Ų | 105 | 74.4 Ų | 74.4 | 46% | 0.457 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | 33.2 | -174 | -60.5 | 177.6 | -177.3 | 171.6 | 0 | 112.3 | F96 F97 L112 | F96-K115 HydrophobicContact CE2-CB 4.14Å; F96-K115 HydrophobicContact CZ-CB 4.36Å; F96-K115 HydrophobicContact CZ-CD 4.36Å; F97-K115 WeakPolarHBondContact CD2-O 3.23Å; F97-K115 PolarHBondContact N-O 2.88Å; L112-K115 PolarHBondContact O-N 3.34Å |
| 116 | F | 81.3 | Confident | 80.8 | Confident | 79 Ų | 79 | 73.7 Ų | 73.7 | 35% | 0.346 | 37% | 0.367 | S | S | . | . | trans | -97.7 | 150.4 | -170.2 | -175.4 | -95.7 | 0 | 0 | 0 | 110.9 | D94 I110 N114 | D94-F116 HydrophobicContact CB-CE2 3.74Å; D94-F116 HydrophobicContact CB-CZ 3.72Å; I110-F116 WeakPolarHBondContact CG2-O 3.26Å; N114-F116 HydrophobicContact CB-CB 4.31Å; N114-F116 PolarHBondContact O-N 3.45Å | ||
| 117 | G | 87.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 35% | 0.353 | C | S | . | . | trans | 171.4 | 179.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | H95 I127 | H95-G117 PolarHBondContact N-O 2.97Å; G117-I127 WeakPolarHBondContact CA-O 3.39Å | ||
| 118 | L | 89.6 | Confident | 81.3 | Confident | 8 Ų | 8 | 69.3 Ų | 69.3 | 4% | 0.042 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 139.7 | -171.1 | -59.5 | 168 | 0 | 0 | 0 | 110.8 | F92 D94 N126 I127 Q132 | F92-L118 HydrophobicContact CB-CB 4.24Å; F92-L118 HydrophobicContact CD1-CB 3.82Å; F92-L118 HydrophobicContact CG-CB 4.24Å; D94-L118 WeakPolarHBondContact OD1-CD2 3.25Å; L118-N126 WeakPolarHBondContact O-CA 2.99Å; L118-I127 HydrophobicContact CB-CG1 3.86Å; L118-I127 HydrophobicContact CD1-CD1 4.29Å; L118-I127 HydrophobicContact CD1-CG1 4.33Å; L118-I127 PolarHBondContact N-O 3.26Å; L118-I127 PolarHBondContact O-N 3.1Å; L118-Q132 HydrophobicContact CD1-CB 3.88Å; L118-Q132 HydrophobicContact CD1-CG 4.27Å |
| 119 | R | 88.6 | Confident | 81.5 | Confident | 72 Ų | 72 | 66.4 Ų | 66.4 | 27% | 0.272 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.9 | 165.9 | 177.6 | 177 | -71.2 | 147 | 9.6 | 110.9 | F92 K93 H95 K121 T125 N126 | F92-R119 CarbonylContact C-O 3.53Å; F92-R119 WeakPolarHBondContact CA-O 3.48Å; K93-R119 PolarHBondContact N-O 2.79Å; K93-R119 PolarHBondContact O-N 2.87Å; H95-R119 HydrophobicContact CB-CB 3.9Å; H95-R119 PolarHBondContact CD2-NH1 3.21Å; H95-R119 PolarHBondContact CE1-NH2 2.8Å; H95-R119 PolarHBondContact NE2-NH1 2.97Å; R119-K121 PolarHBondContact O-N 2.75Å; R119-T125 VanDerWaalsContact CA-O 3.31Å; R119-T125 WeakPolarHBondContact CA-O 3.26Å; R119-N126 PolarHBondContact NE-OD1 3.29Å; R119-N126 PolarHBondContact NH2-OD1 3.17Å |
| 120 | C | 88.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 124.7 | 170.6 | -173.6 | 0 | 0 | 0 | 0 | 111 | K91 F92 N122 C123 K124 T125 | K91-C120 WeakPolarHBondContact O-CA 3.28Å; F92-C120 HydrophobicContact CD1-CB 3.87Å; F92-C120 HydrophobicContact CE1-CB 3.74Å; F92-C120 HydrophobicContact CZ-CB 4.38Å; C120-N122 VanDerWaalsContact C-N 3.26Å; C120-N122 PolarHBondContact O-N 2.8Å; C120-C123 VanDerWaalsContact CB-SG 3.53Å; C120-K124 VanDerWaalsContact O-CA 3.29Å; C120-K124 WeakPolarHBondContact O-CA 3.35Å; C120-K124 PolarHBondContact O-N 2.94Å; C120-T125 PolarHBondContact N-O 2.84Å |
| 121 | K | 86.7 | Confident | 81.7 | Confident | 143 Ų | 143 | 70.2 Ų | 70.2 | 62% | 0.622 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -39 | 178.2 | -66.7 | 177.2 | -177 | 174 | 0 | 112.2 | K91 R119 | K91-K121 PolarHBondContact O-N 3.35Å; R119-K121 PolarHBondContact O-N 2.75Å |
| 122 | N | 83.8 | Confident | 82.3 | Confident | 67 Ų | 67 | 69.9 Ų | 69.9 | 36% | 0.358 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -46.1 | -171.1 | -60.8 | -7.8 | 0 | 0 | 0 | 112.8 | C120 G142 K143 | C120-N122 VanDerWaalsContact C-N 3.26Å; C120-N122 PolarHBondContact O-N 2.8Å; N122-G142 CarbonylContact O-C 3.57Å; N122-G142 VanDerWaalsContact O-C 3.25Å; N122-G142 WeakPolarHBondContact O-CA 2.98Å; N122-K143 PolarHBondContact O-N 2.85Å |
| 123 | C | 83.2 | Confident | 83.4 | Confident | 8 Ų | 8 | 67 Ų | 67 | 5% | 0.054 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -0.8 | -170.9 | 60.4 | 0 | 0 | 0 | 0 | 115.1 | H90 C120 T125 C140 G142 | H90-C123 PolarHBondContact CE1-SG 2.95Å; H90-C123 PolarHBondContact ND1-SG 2.85Å; H90-C123 VanDerWaalsContact ND1-SG 3.41Å; C120-C123 VanDerWaalsContact CB-SG 3.53Å; C123-T125 PolarHBondContact O-N 2.93Å; C123-T125 PolarHBondContact SG-OG1 2.79Å; C123-C140 VanDerWaalsContact SG-SG 3.61Å; C123-G142 VanDerWaalsContact CA-O 3.24Å; C123-G142 WeakPolarHBondContact CA-O 3.36Å; C123-G142 WeakPolarHBondContact CB-O 3.4Å |
| 124 | K | 85.1 | Confident | 84.5 | Confident | 152 Ų | 152 | 66.1 Ų | 66.1 | 66% | 0.661 | 31% | 0.309 | S | S | * | . | trans | 61.4 | 7.4 | 178.2 | -56.1 | -179.3 | 179 | 179.2 | 0 | 116.2 | C120 N126 | C120-K124 VanDerWaalsContact O-CA 3.29Å; C120-K124 WeakPolarHBondContact O-CA 3.35Å; C120-K124 PolarHBondContact O-N 2.94Å; K124-N126 PolarHBondContact O-ND2 2.75Å; K124-N126 PolarHBondContact O-OD1 2.8Å | ||
| 125 | T | 86.1 | Confident | 85.1 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 3% | 0.025 | 28% | 0.278 | C | S | . | . | trans | -51.3 | 141.3 | 166.9 | -48.5 | 0 | 0 | 0 | 0 | 110.8 | D104 R119 C120 C123 I127 Y152 | D104-T125 HydrophobicContact CB-CG2 3.6Å; D104-T125 VanDerWaalsContact OD2-CA 3.31Å; D104-T125 WeakPolarHBondContact OD2-CA 3.34Å; D104-T125 VanDerWaalsContact OD2-CG2 3.29Å; D104-T125 WeakPolarHBondContact OD2-CG2 3.38Å; R119-T125 VanDerWaalsContact CA-O 3.31Å; R119-T125 WeakPolarHBondContact CA-O 3.26Å; C120-T125 PolarHBondContact N-O 2.84Å; C123-T125 PolarHBondContact O-N 2.93Å; C123-T125 PolarHBondContact SG-OG1 2.79Å; T125-I127 HydrophobicContact CG2-CG2 4.21Å; T125-Y152 HydrophobicContact CG2-CD2 4.32Å; T125-Y152 HydrophobicContact CG2-CE2 3.69Å; T125-Y152 PolarHBondContact OG1-OH 2.85Å | ||
| 126 | N | 88.1 | Confident | 85.4 | Confident | 21 Ų | 21 | 60.9 Ų | 60.9 | 11% | 0.112 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 125.7 | -173 | -44.2 | -96.6 | 0 | 0 | 0 | 108.3 | F97 C103 D104 I110 L118 R119 K124 | F97-N126 HydrophobicContact CE1-CB 3.98Å; F97-N126 WeakPolarHBondContact CE1-OD1 3.45Å; F97-N126 HydrophobicContact CZ-CB 3.83Å; C103-N126 WeakPolarHBondContact CA-O 3.34Å; D104-N126 PolarHBondContact N-O 3.45Å; D104-N126 PolarHBondContact OD2-N 3.42Å; I110-N126 HydrophobicContact CD1-CB 4.14Å; L118-N126 WeakPolarHBondContact O-CA 2.99Å; R119-N126 PolarHBondContact NE-OD1 3.29Å; R119-N126 PolarHBondContact NH2-OD1 3.17Å; K124-N126 PolarHBondContact O-ND2 2.75Å; K124-N126 PolarHBondContact O-OD1 2.8Å |
| 127 | I | 89.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 160.9 | -175 | 64.1 | 171.9 | 0 | 0 | 0 | 111.7 | F92 C103 V105 G117 L118 T125 C131 Q132 V135 | F92-I127 HydrophobicContact CD1-CD1 4.18Å; F92-I127 HydrophobicContact CD1-CG1 4.31Å; F92-I127 HydrophobicContact CE1-CD1 3.52Å; F92-I127 HydrophobicContact CE1-CG1 3.76Å; F92-I127 HydrophobicContact CE2-CD1 3.91Å; F92-I127 HydrophobicContact CZ-CD1 3.37Å; F92-I127 HydrophobicContact CZ-CG1 4.14Å; C103-I127 VanDerWaalsContact SG-CA 3.59Å; V105-I127 HydrophobicContact CG2-CG2 3.75Å; G117-I127 WeakPolarHBondContact CA-O 3.39Å; L118-I127 HydrophobicContact CB-CG1 3.86Å; L118-I127 HydrophobicContact CD1-CD1 4.29Å; L118-I127 HydrophobicContact CD1-CG1 4.33Å; L118-I127 PolarHBondContact N-O 3.26Å; L118-I127 PolarHBondContact O-N 3.1Å; T125-I127 HydrophobicContact CG2-CG2 4.21Å; I127-C131 HydrophobicContact CB-CB 4.07Å; I127-C131 HydrophobicContact CD1-CB 4.48Å; I127-Q132 HydrophobicContact CD1-CB 4.32Å; I127-V135 HydrophobicContact CD1-CG2 4.3Å |
| 128 | H | 89.4 | Confident | 84.3 | Confident | 28 Ų | 28 | 67.2 Ų | 67.2 | 13% | 0.13 | 32% | 0.315 | C | S | . | . | trans | -68.2 | 156.6 | 162.6 | -53.3 | 99.2 | 0 | 0 | 0 | 110.4 | C103 C106 M109 C131 | C103-H128 WeakPolarHBondContact CB-CE1 3.5Å; C103-H128 WeakPolarHBondContact CB-ND1 3.4Å; C103-H128 PolarHBondContact SG-ND1 2.79Å; C106-H128 PolarHBondContact SG-CE1 2.9Å; C106-H128 PolarHBondContact SG-ND1 3.38Å; C106-H128 VanDerWaalsContact SG-ND1 3.37Å; M109-H128 PolarHBondContact O-NE2 3.1Å; H128-C131 HydrophobicContact CB-CB 4.28Å; H128-C131 WeakPolarHBondContact O-CA 3.46Å; H128-C131 WeakPolarHBondContact O-CB 3.5Å; H128-C131 PolarHBondContact O-N 2.99Å | ||
| 129 | E | 87.5 | Confident | 83.8 | Confident | 129 Ų | 129 | 70.3 Ų | 70.3 | 60% | 0.603 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -56 | -52.6 | 175.4 | -170 | 177 | 161.1 | 0 | 0 | 112.3 | C131 Q132 | E129-C131 PolarHBondContact O-N 3.02Å; E129-Q132 VanDerWaalsContact O-CB 3.28Å; E129-Q132 WeakPolarHBondContact O-CB 3.46Å; E129-Q132 PolarHBondContact O-N 2.87Å |
| 130 | H | 86.4 | Confident | 83.5 | Confident | 150 Ų | 150 | 67.2 Ų | 67.2 | 69% | 0.694 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -62.2 | -10.4 | 173.4 | -175.3 | 78.3 | 0 | 0 | 0 | 114.3 | ||
| 131 | C | 87.6 | Confident | 82.8 | Confident | 9 Ų | 9 | 70.7 Ų | 70.7 | 6% | 0.061 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -89.5 | -0.7 | 173 | -68.2 | 0 | 0 | 0 | 0 | 113.4 | C103 V105 I127 H128 E129 | C103-C131 VanDerWaalsContact SG-SG 3.66Å; V105-C131 HydrophobicContact CB-CB 4.23Å; V105-C131 HydrophobicContact CG1-CB 4.42Å; V105-C131 HydrophobicContact CG2-CB 4.44Å; I127-C131 HydrophobicContact CB-CB 4.07Å; I127-C131 HydrophobicContact CD1-CB 4.48Å; H128-C131 HydrophobicContact CB-CB 4.28Å; H128-C131 WeakPolarHBondContact O-CA 3.46Å; H128-C131 WeakPolarHBondContact O-CB 3.5Å; H128-C131 PolarHBondContact O-N 2.99Å; E129-C131 PolarHBondContact O-N 3.02Å |
| 132 | Q | 86.1 | Confident | 82.6 | Confident | 77 Ų | 77 | 64.7 Ų | 64.7 | 36% | 0.36 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -63.2 | -47.4 | -177.4 | -178.7 | 173.6 | -49.2 | 0 | 0 | 113.1 | F92 L118 I127 E129 Y134 V135 E136 | F92-Q132 HydrophobicContact CD2-CG 4.28Å; L118-Q132 HydrophobicContact CD1-CB 3.88Å; L118-Q132 HydrophobicContact CD1-CG 4.27Å; I127-Q132 HydrophobicContact CD1-CB 4.32Å; E129-Q132 VanDerWaalsContact O-CB 3.28Å; E129-Q132 WeakPolarHBondContact O-CB 3.46Å; E129-Q132 PolarHBondContact O-N 2.87Å; Q132-Y134 VanDerWaalsContact C-N 3.27Å; Q132-Y134 PolarHBondContact O-N 3.46Å; Q132-V135 CarbonylContact O-C 3.25Å; Q132-V135 PolarHBondContact O-N 2.99Å; Q132-E136 PolarHBondContact O-N 3.02Å |
| 133 | S | 82.8 | Confident | 82.1 | Confident | 67 Ų | 67 | 70.7 Ų | 70.7 | 47% | 0.469 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -56.2 | -38.9 | -177.4 | 50.2 | 0 | 0 | 0 | 0 | 113 | V135 E136 | S133-V135 PolarHBondContact O-N 3.1Å; S133-V135 VanDerWaalsContact O-N 3.17Å; S133-E136 WeakPolarHBondContact O-CB 3.16Å; S133-E136 PolarHBondContact O-N 2.81Å |
| 134 | Y | 80.9 | Confident | 81.3 | Confident | 145 Ų | 145 | 72.6 Ų | 72.6 | 57% | 0.569 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.5 | -18.3 | 175.9 | -60.8 | -92.6 | 0 | 0 | 0 | 114 | V105 Q132 Q138 | V105-Y134 HydrophobicContact CG1-CG 4.42Å; Q132-Y134 VanDerWaalsContact C-N 3.27Å; Q132-Y134 PolarHBondContact O-N 3.46Å; Y134-Q138 WeakPolarHBondContact O-CG 3.3Å |
| 135 | V | 77.4 | Confident | 80.5 | Confident | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.006 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -110.7 | -12.1 | -179 | -166.4 | 0 | 0 | 0 | 0 | 112.2 | H90 F92 V105 I127 Q132 S133 M137 Q138 | H90-V135 HydrophobicContact CB-CG1 4.4Å; F92-V135 HydrophobicContact CE2-CB 4.2Å; F92-V135 HydrophobicContact CE2-CG1 4.15Å; F92-V135 HydrophobicContact CZ-CB 4.15Å; F92-V135 HydrophobicContact CZ-CG1 3.89Å; V105-V135 HydrophobicContact CG2-CG2 3.27Å; I127-V135 HydrophobicContact CD1-CG2 4.3Å; Q132-V135 CarbonylContact O-C 3.25Å; Q132-V135 PolarHBondContact O-N 2.99Å; S133-V135 PolarHBondContact O-N 3.1Å; S133-V135 VanDerWaalsContact O-N 3.17Å; V135-M137 VanDerWaalsContact C-N 3.31Å; V135-M137 PolarHBondContact O-N 3.14Å; V135-Q138 HydrophobicContact CG1-CB 4.22Å; V135-Q138 WeakPolarHBondContact O-CB 3.46Å; V135-Q138 PolarHBondContact O-N 3.42Å |
| 136 | E | 76.3 | Confident | 79.1 | Confident | 119 Ų | 119 | 75.9 Ų | 75.9 | 56% | 0.556 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60.3 | -40 | 179.4 | -174.5 | 156.2 | -141.2 | 0 | 0 | 112.4 | N86 Q132 S133 Q138 | N86-E136 PolarHBondContact ND2-O 2.93Å; Q132-E136 PolarHBondContact O-N 3.02Å; S133-E136 WeakPolarHBondContact O-CB 3.16Å; S133-E136 PolarHBondContact O-N 2.81Å; E136-Q138 VanDerWaalsContact C-N 3.31Å; E136-Q138 PolarHBondContact O-N 2.94Å |
| 137 | M | 70.3 | Confident | 77.7 | Confident | 156 Ų | 156 | 78.7 Ų | 78.7 | 77% | 0.768 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -0.7 | 174.1 | -61.3 | 174.9 | 179 | 0 | 0 | 113.8 | V135 | V135-M137 VanDerWaalsContact C-N 3.31Å; V135-M137 PolarHBondContact O-N 3.14Å |
| 138 | Q | 76.4 | Confident | 76.4 | Confident | 56 Ų | 56 | 85.2 Ų | 85.2 | 26% | 0.262 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -100.7 | 136.2 | -174.6 | -59.8 | -62.5 | -34.9 | 0 | 0 | 112.2 | N86 H90 Y134 V135 E136 C140 L156 | N86-Q138 VanDerWaalsContact ND2-C 3.34Å; N86-Q138 PolarHBondContact ND2-O 2.93Å; H90-Q138 PolarHBondContact CD2-O 3.11Å; H90-Q138 VanDerWaalsContact CD2-O 3.31Å; Y134-Q138 WeakPolarHBondContact O-CG 3.3Å; V135-Q138 HydrophobicContact CG1-CB 4.22Å; V135-Q138 WeakPolarHBondContact O-CB 3.46Å; V135-Q138 PolarHBondContact O-N 3.42Å; E136-Q138 VanDerWaalsContact C-N 3.31Å; E136-Q138 PolarHBondContact O-N 2.94Å; Q138-C140 PolarHBondContact O-N 3.46Å; Q138-L156 HydrophobicContact CB-CD1 4.36Å; Q138-L156 VanDerWaalsContact OE1-CD1 3.3Å |
| 139 | R | 78.6 | Confident | 75 | Confident | 72 Ų | 72 | 94.5 Ų | 94.5 | 27% | 0.272 | 48% | 0.475 | S | S | . | . | trans | -71.3 | 124.9 | -174.2 | -170.2 | -176.4 | -179.6 | 96.7 | -14.1 | 112.5 | D87 K88 F141 | D87-R139 IonicContact OD2-CZ 2.69Å; D87-R139 IonicContact OD2-NH1 3.21Å; D87-R139 PolarHBondContact OD2-NH1 3.19Å; K88-R139 HydrophobicContact CB-CG 4.25Å; R139-F141 WeakPolarHBondContact O-CD2 3.25Å; R139-F141 WeakPolarHBondContact O-CE2 3.43Å; R139-F141 PolarHBondContact O-N 3.33Å | ||
| 140 | C | 82.9 | Confident | 73.9 | Confident | 8 Ų | 8 | 91.3 Ų | 91.3 | 5% | 0.054 | 46% | 0.458 | C | S | . | . | trans | -81.3 | 101.2 | 177.4 | -164.2 | 0 | 0 | 0 | 0 | 112.3 | K88 H90 C123 Q138 G142 | K88-C140 WeakPolarHBondContact O-CA 3.24Å; K88-C140 WeakPolarHBondContact O-CB 3.39Å; K88-C140 PolarHBondContact O-N 2.63Å; H90-C140 HydrophobicContact CB-CB 4.46Å; H90-C140 VanDerWaalsContact CD2-CB 3.43Å; H90-C140 WeakPolarHBondContact CD2-CB 3.44Å; H90-C140 WeakPolarHBondContact NE2-CA 3.35Å; C123-C140 VanDerWaalsContact SG-SG 3.61Å; Q138-C140 PolarHBondContact O-N 3.46Å; C140-G142 VanDerWaalsContact C-N 3.26Å; C140-G142 PolarHBondContact O-N 2.85Å | ||
| 141 | F | 74.4 | Confident | 72.6 | Confident | 72 Ų | 72 | 87 Ų | 87 | 32% | 0.316 | 45% | 0.449 | S | S | . | . | trans | -78.5 | 8.2 | 178.6 | -50.8 | -94.8 | 0 | 0 | 0 | 115.6 | R139 R150 L156 | R139-F141 WeakPolarHBondContact O-CD2 3.25Å; R139-F141 WeakPolarHBondContact O-CE2 3.43Å; R139-F141 PolarHBondContact O-N 3.33Å; F141-R150 VanDerWaalsContact CB-NH2 3.25Å; F141-R150 VanDerWaalsContact CD2-CZ 3.45Å; F141-L156 HydrophobicContact CE2-CD1 3.6Å; F141-L156 HydrophobicContact CE2-CD2 3.94Å; F141-L156 HydrophobicContact CE2-CG 4.41Å; F141-L156 HydrophobicContact CZ-CD1 3.89Å; F141-L156 HydrophobicContact CZ-CD2 4.06Å; F141-L156 HydrophobicContact CZ-CG 4.48Å | ||
| 142 | G | 80.7 | Confident | 71.3 | Confident | 17 Ų | 17 | 88.1 Ų | 88.1 | 18% | 0.175 | 45% | 0.452 | C | S | . | . | trans | 64.7 | -150.5 | -180 | 0 | 0 | 0 | 0 | 0 | 115.4 | N122 C123 C140 I144 | N122-G142 CarbonylContact O-C 3.57Å; N122-G142 VanDerWaalsContact O-C 3.25Å; N122-G142 WeakPolarHBondContact O-CA 2.98Å; C123-G142 VanDerWaalsContact CA-O 3.24Å; C123-G142 WeakPolarHBondContact CA-O 3.36Å; C123-G142 WeakPolarHBondContact CB-O 3.4Å; C140-G142 VanDerWaalsContact C-N 3.26Å; C140-G142 PolarHBondContact O-N 2.85Å; G142-I144 PolarHBondContact O-N 2.78Å | ||
| 143 | K | 74.6 | Confident | 69.5 | Low | 194 Ų | 194 | 89.1 Ų | 89.1 | 84% | 0.843 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -58.3 | 117.1 | -172 | -64.5 | 177.3 | -175.4 | 172.6 | 0 | 111.2 | N122 | N122-K143 PolarHBondContact O-N 2.85Š|
| 144 | I | 66.3 | Low | 67.8 | Low | 47 Ų | 47 | 89.3 Ų | 89.3 | 24% | 0.241 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -83.3 | 134.8 | 175.1 | -44.1 | -173.6 | 0 | 0 | 0 | 109.3 | G142 F148 R150 | G142-I144 PolarHBondContact O-N 2.78Å; I144-F148 HydrophobicContact CG2-CB 3.96Å; I144-F148 HydrophobicContact CG2-CD1 3.96Å; I144-F148 HydrophobicContact CG2-CG 4.46Å; I144-F148 WeakPolarHBondContact CG2-O 3.45Å; I144-R150 HydrophobicContact CD1-CG 4.23Å; I144-R150 VanDerWaalsContact CD1-NH1 3.31Å |
| 145 | P | 68.4 | Low | 66.1 | Low | 87 Ų | 87 | 88.4 Ų | 88.4 | 57% | 0.565 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 144.7 | 172.4 | -25.7 | 35.3 | 0 | 0 | 0 | 112.4 | G147 F148 | P145-G147 PolarHBondContact O-N 2.91Å; P145-F148 PolarHBondContact O-N 2.9Å |
| 146 | P | 56 | Low | 64.6 | Low | 138 Ų | 138 | 91.5 Ų | 91.5 | 90% | 0.896 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 137.8 | 177.2 | 26.7 | -34.2 | 0 | 0 | 0 | 110.8 | ||
| 147 | G | 60 | Low | 62.7 | Low | 81 Ų | 81 | 91.8 Ų | 91.8 | 84% | 0.835 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.7 | -33.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P145 R149 | P145-G147 PolarHBondContact O-N 2.91Å; G147-R149 PolarHBondContact O-N 3.48Å |
| 148 | F | 61.3 | Low | 61.3 | Low | 137 Ų | 137 | 88.6 Ų | 88.6 | 60% | 0.601 | 49% | 0.487 | S | S | * | . | trans | -82.4 | 121.1 | 179.7 | -159.9 | -99.3 | 0 | 0 | 0 | 111.3 | I144 P145 R150 | I144-F148 HydrophobicContact CG2-CB 3.96Å; I144-F148 HydrophobicContact CG2-CD1 3.96Å; I144-F148 HydrophobicContact CG2-CG 4.46Å; I144-F148 WeakPolarHBondContact CG2-O 3.45Å; P145-F148 PolarHBondContact O-N 2.9Å; F148-R150 HydrophobicContact CD1-CG 4.48Å; F148-R150 HydrophobicContact CE1-CG 4.21Å | ||
| 149 | R | 61.1 | Low | 59.7 | Low | 222 Ų | 222 | 89.5 Ų | 89.5 | 84% | 0.838 | 49% | 0.493 | S | S | * | . | trans | -110.9 | 124.5 | 176.1 | -68.8 | -105.9 | -74.3 | -80 | 0.7 | 108.7 | G147 | G147-R149 PolarHBondContact O-N 3.48Š| ||
| 150 | R | 64.6 | Low | 58 | Low | 62 Ų | 62 | 94 Ų | 94 | 23% | 0.234 | 52% | 0.517 | C | S | . | . | trans | -82.8 | 135.5 | 172 | -76.2 | -168.5 | -177.7 | 104.8 | 9.7 | 110.7 | F141 I144 F148 Y152 | F141-R150 VanDerWaalsContact CB-NH2 3.25Å; F141-R150 VanDerWaalsContact CD2-CZ 3.45Å; I144-R150 HydrophobicContact CD1-CG 4.23Å; I144-R150 VanDerWaalsContact CD1-NH1 3.31Å; F148-R150 HydrophobicContact CD1-CG 4.48Å; F148-R150 HydrophobicContact CE1-CG 4.21Å; R150-Y152 HydrophobicContact CB-CD2 4.16Å; R150-Y152 HydrophobicContact CB-CE2 3.7Å | ||
| 151 | A | 58.1 | Low | 56.1 | Low | 61 Ų | 61 | 99.4 Ų | 99.4 | 50% | 0.504 | 54% | 0.542 | S | S | . | . | trans | -92.1 | 117.9 | 158 | 0 | 0 | 0 | 0 | 0 | 107.9 | S153 | A151-S153 PolarHBondContact O-N 2.87Š| ||
| 152 | Y | 60 | Low | 54.5 | Low | 31 Ų | 31 | 104.6 Ų | 104.6 | 12% | 0.122 | 56% | 0.56 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -81.9 | 3.9 | 176.9 | -70.5 | -98.4 | 0 | 0 | 0 | 112.6 | D104 T125 R150 S154 | D104-Y152 HydrophobicContact CB-CD2 3.88Å; D104-Y152 HydrophobicContact CB-CE2 4.15Å; D104-Y152 WeakPolarHBondContact O-CB 3.44Å; T125-Y152 HydrophobicContact CG2-CD2 4.32Å; T125-Y152 HydrophobicContact CG2-CE2 3.69Å; T125-Y152 PolarHBondContact OG1-OH 2.85Å; R150-Y152 HydrophobicContact CB-CD2 4.16Å; R150-Y152 HydrophobicContact CB-CE2 3.7Å; Y152-S154 VanDerWaalsContact C-N 3.3Å |
| 153 | S | 49.6 | Very low | 52.5 | Low | 98 Ų | 98 | 108 Ų | 108 | 69% | 0.685 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -1.3 | 173.8 | 52.6 | 0 | 0 | 0 | 0 | 114.4 | A151 | A151-S153 PolarHBondContact O-N 2.87Š|
| 154 | S | 47.1 | Very low | 50.8 | Low | 71 Ų | 71 | 104 Ų | 104 | 50% | 0.497 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -102.8 | 123.8 | 173.8 | -63 | 0 | 0 | 0 | 0 | 110 | Y152 L156 | Y152-S154 VanDerWaalsContact C-N 3.3Å; S154-L156 PolarHBondContact O-N 2.85Å |
| 155 | P | 44.8 | Very low | 49.7 | Very low | 127 Ų | 127 | 108 Ų | 108 | 83% | 0.825 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 127.3 | 170.8 | -25.2 | 34.9 | 0 | 0 | 0 | 110.4 | Y157 | P155-Y157 PolarHBondContact O-N 2.73Š|
| 156 | L | 45.4 | Very low | 48.3 | Very low | 66 Ų | 66 | 112 Ų | 112 | 35% | 0.346 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -73.7 | 120.1 | -171.8 | -69.5 | 176.3 | 0 | 0 | 0 | 111.4 | Q138 F141 S154 | Q138-L156 HydrophobicContact CB-CD1 4.36Å; Q138-L156 VanDerWaalsContact OE1-CD1 3.3Å; F141-L156 HydrophobicContact CE2-CD1 3.6Å; F141-L156 HydrophobicContact CE2-CD2 3.94Å; F141-L156 HydrophobicContact CE2-CG 4.41Å; F141-L156 HydrophobicContact CZ-CD1 3.89Å; F141-L156 HydrophobicContact CZ-CD2 4.06Å; F141-L156 HydrophobicContact CZ-CG 4.48Å; S154-L156 PolarHBondContact O-N 2.85Å |
| 157 | Y | 37.3 | Very low | 47.3 | Very low | 125 Ų | 125 | 112.5 Ų | 112.5 | 49% | 0.49 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -62.8 | 137.9 | 173.2 | -150.4 | -104.5 | 0 | 0 | 0 | 111.2 | P155 Q161 E322 | P155-Y157 PolarHBondContact O-N 2.73Å; Y157-Q161 PolarHBondContact OH-NE2 3.19Å; Y157-E322 WeakPolarHBondContact CE2-OE1 3.32Å; Y157-E322 WeakPolarHBondContact CE2-OE2 3.46Å; Y157-E322 VanDerWaalsContact CZ-OE2 3.3Å; Y157-E322 PolarHBondContact OH-OE1 2.79Å; Y157-E322 PolarHBondContact OH-OE2 3.39Å |
| 158 | S | 40.9 | Very low | 46.2 | Very low | 89 Ų | 89 | 116.3 Ų | 116.3 | 62% | 0.622 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 151.7 | -174.2 | -169.4 | 0 | 0 | 0 | 0 | 112.3 | Q160 | S158-Q160 PolarHBondContact O-N 2.89Å; S158-Q160 VanDerWaalsContact O-N 3.16Å |
| 159 | N | 41.9 | Very low | 45.3 | Very low | 74 Ų | 74 | 115.6 Ų | 115.6 | 40% | 0.396 | 62% | 0.619 | S | S | . | * | G | 310 helix | trans | -75.7 | 1.2 | -170.9 | -105.3 | -114.2 | 0 | 0 | 0 | 115.2 | Q161 Y162 | N159-Q161 PolarHBondContact O-N 2.85Å; N159-Q161 VanDerWaalsContact O-N 3.16Å; N159-Y162 PolarHBondContact O-N 3.2Å |
| 160 | Q | 43.6 | Very low | 44.2 | Very low | 167 Ų | 167 | 109.1 Ų | 109.1 | 78% | 0.78 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -57.4 | -33.2 | -172.1 | -147.4 | 70.8 | 19.7 | 0 | 0 | 114 | S158 Y162 | S158-Q160 PolarHBondContact O-N 2.89Å; S158-Q160 VanDerWaalsContact O-N 3.16Å; Q160-Y162 PolarHBondContact O-N 3.31Å |
| 161 | Q | 42.9 | Very low | 43.4 | Very low | 121 Ų | 121 | 111.5 Ų | 111.5 | 57% | 0.565 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -77.5 | -16 | -175.4 | -69.9 | 178.9 | -5 | 0 | 0 | 114.5 | Y157 N159 A163 C164 | Y157-Q161 PolarHBondContact OH-NE2 3.19Å; N159-Q161 PolarHBondContact O-N 2.85Å; N159-Q161 VanDerWaalsContact O-N 3.16Å; Q161-A163 PolarHBondContact O-N 3.09Å; Q161-C164 PolarHBondContact O-N 3.14Å |
| 162 | Y | 39.7 | Very low | 42.7 | Very low | 181 Ų | 181 | 115.1 Ų | 115.1 | 71% | 0.71 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -73.5 | -8.7 | -174.6 | -108.7 | -73.3 | 0 | 0 | 0 | 114.7 | N159 Q160 C164 | N159-Y162 PolarHBondContact O-N 3.2Å; Q160-Y162 PolarHBondContact O-N 3.31Å; Y162-C164 VanDerWaalsContact C-N 3.32Å |
| 163 | A | 39.2 | Very low | 42.5 | Very low | 90 Ų | 90 | 124.3 Ų | 124.3 | 74% | 0.744 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -71.8 | -23.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q161 | Q161-A163 PolarHBondContact O-N 3.09Š|
| 164 | C | 38.3 | Very low | 42.7 | Very low | 110 Ų | 110 | 125.5 Ų | 125.5 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -80.3 | -24.2 | -172.9 | -170.5 | 0 | 0 | 0 | 0 | 114.1 | Q161 Y162 K166 | Q161-C164 PolarHBondContact O-N 3.14Å; Y162-C164 VanDerWaalsContact C-N 3.32Å; C164-K166 PolarHBondContact O-N 2.82Å |
| 165 | I | 43.1 | Very low | 43.8 | Very low | 129 Ų | 129 | 126 Ų | 126 | 66% | 0.662 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 49.1 | -163.7 | -37 | 179.2 | 0 | 0 | 0 | 111.5 | ||
| 166 | K | 39.6 | Very low | 45.1 | Very low | 173 Ų | 173 | 124.4 Ų | 124.4 | 75% | 0.752 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | -24.9 | 179.1 | -150.6 | -178.1 | 177.2 | -166.3 | 0 | 114.9 | C164 | C164-K166 PolarHBondContact O-N 2.82Š|
| 167 | D | 34.9 | Very low | 46.5 | Very low | 148 Ų | 148 | 125.7 Ų | 125.7 | 79% | 0.791 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -108.4 | 22.6 | -167.7 | -57.8 | -54.8 | 0 | 0 | 0 | 114.9 | ||
| 168 | L | 37.1 | Very low | 48.3 | Very low | 160 Ų | 160 | 125.3 Ų | 125.3 | 84% | 0.838 | 69% | 0.688 | S | S | * | * | trans | -120.2 | 47.9 | 177.4 | -82.2 | 165.4 | 0 | 0 | 0 | 113.1 | A170 | L168-A170 VanDerWaalsContact C-N 3.31Å; L168-A170 PolarHBondContact O-N 2.97Å | ||
| 169 | S | 41.8 | Very low | 49.6 | Very low | 122 Ų | 122 | 123.5 Ų | 123.5 | 85% | 0.853 | 67% | 0.67 | S | S | * | * | trans | -87.7 | 63.8 | 167.6 | 65.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 170 | A | 38.3 | Very low | 51.3 | Low | 86 Ų | 86 | 124.8 Ų | 124.8 | 71% | 0.711 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -136.8 | 142.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | L168 N172 | L168-A170 VanDerWaalsContact C-N 3.31Å; L168-A170 PolarHBondContact O-N 2.97Å; A170-N172 PolarHBondContact O-N 2.92Å |
| 171 | A | 48.7 | Very low | 53 | Low | 113 Ų | 113 | 122.2 Ų | 122.2 | 93% | 0.934 | 67% | 0.672 | S | S | * | * | trans | -74.2 | 117.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 172 | N | 42.8 | Very low | 54.7 | Low | 136 Ų | 136 | 121.2 Ų | 121.2 | 73% | 0.727 | 66% | 0.663 | S | S | * | * | trans | -140.9 | 126.1 | 162.7 | -155.3 | -30.5 | 0 | 0 | 0 | 110.9 | A170 N174 | A170-N172 PolarHBondContact O-N 2.92Å; N172-N174 VanDerWaalsContact C-N 3.32Å; N172-N174 PolarHBondContact O-N 3.06Å; N172-N174 PolarHBondContact OD1-ND2 2.77Å | ||
| 173 | R | 55.5 | Low | 56.5 | Low | 224 Ų | 224 | 116.2 Ų | 116.2 | 85% | 0.845 | 65% | 0.651 | S | S | * | * | trans | -91.6 | 52.3 | -173.8 | -75.8 | -175.2 | 162.4 | -160.5 | -1.1 | 112 | ||||
| 174 | N | 53.3 | Low | 58.5 | Low | 124 Ų | 124 | 113.6 Ų | 113.6 | 66% | 0.663 | 63% | 0.633 | S | S | * | * | trans | -143.9 | 57.1 | -179.5 | -74.7 | -64.4 | 0 | 0 | 0 | 112.2 | N172 | N172-N174 VanDerWaalsContact C-N 3.32Å; N172-N174 PolarHBondContact O-N 3.06Å; N172-N174 PolarHBondContact OD1-ND2 2.77Å | ||
| 175 | D | 70.8 | Confident | 60.5 | Low | 80 Ų | 80 | 112.4 Ų | 112.4 | 43% | 0.428 | 62% | 0.622 | S | S | . | * | trans | -81.5 | 117 | 163.4 | 169.3 | 10.8 | 0 | 0 | 0 | 108.8 | V177 F178 E179 | D175-V177 PolarHBondContact O-N 2.89Å; D175-V177 WeakPolarHBondContact OD1-CB 3.39Å; D175-V177 PolarHBondContact OD1-N 3.4Å; D175-F178 HydrophobicContact CB-CB 3.79Å; D175-F178 PolarHBondContact O-N 3.44Å; D175-F178 VanDerWaalsContact O-N 3.08Å; D175-F178 PolarHBondContact OD2-N 3.38Å; D175-E179 PolarHBondContact O-N 3.33Å | ||
| 176 | P | 72.2 | Confident | 62.2 | Low | 95 Ų | 95 | 111.2 Ų | 111.2 | 62% | 0.617 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.4 | -26.8 | -179.6 | 26.6 | -34.7 | 0 | 0 | 0 | 112.9 | T180 | P176-T180 WeakPolarHBondContact O-CB 3.22Å; P176-T180 PolarHBondContact O-N 3.01Å; P176-T180 PolarHBondContact O-OG1 3.38Å |
| 177 | V | 75.3 | Confident | 63.7 | Low | 92 Ų | 92 | 108.5 Ų | 108.5 | 56% | 0.558 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70.2 | -42.5 | 174 | -173.1 | 0 | 0 | 0 | 0 | 109.8 | D175 T180 L181 | D175-V177 PolarHBondContact O-N 2.89Å; D175-V177 WeakPolarHBondContact OD1-CB 3.39Å; D175-V177 PolarHBondContact OD1-N 3.4Å; V177-T180 PolarHBondContact O-N 2.76Å; V177-L181 HydrophobicContact CG1-CD1 4.2Å; V177-L181 WeakPolarHBondContact O-CB 3.42Å; V177-L181 WeakPolarHBondContact O-CG 3.41Å; V177-L181 PolarHBondContact O-N 3.24Å |
| 178 | F | 73.9 | Confident | 65.3 | Low | 118 Ų | 118 | 103 Ų | 103 | 52% | 0.518 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.2 | -40.4 | 177 | -161.5 | -85.3 | 0 | 0 | 0 | 113 | D175 L181 R182 | D175-F178 HydrophobicContact CB-CB 3.79Å; D175-F178 PolarHBondContact O-N 3.44Å; D175-F178 VanDerWaalsContact O-N 3.08Å; D175-F178 PolarHBondContact OD2-N 3.38Å; F178-L181 PolarHBondContact O-N 3.44Å; F178-R182 WeakPolarHBondContact O-CB 3.45Å; F178-R182 PolarHBondContact O-N 3.17Å |
| 179 | E | 69 | Low | 66.9 | Low | 51 Ų | 51 | 99.5 Ų | 99.5 | 24% | 0.238 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -68.3 | -37.6 | 175.8 | -67.7 | -55 | 147.9 | 0 | 0 | 112 | D175 R182 T183 | D175-E179 PolarHBondContact O-N 3.33Å; E179-R182 VanDerWaalsContact CD-CZ 3.47Å; E179-R182 PolarHBondContact O-N 2.9Å; E179-R182 IonicContact OE1-CZ 2.64Å; E179-R182 IonicContact OE1-NH1 2.61Å; E179-R182 PolarHBondContact OE1-NH1 3.31Å; E179-R182 IonicContact OE1-NH2 3.77Å; E179-R182 PolarHBondContact OE1-NH2 2.98Å; E179-R182 IonicContact OE2-CZ 3.76Å; E179-R182 IonicContact OE2-NE 2.73Å; E179-R182 IonicContact OE2-NH1 2.68Å; E179-R182 PolarHBondContact OE2-NH1 3.06Å; E179-R182 IonicContact OE2-NH2 2.96Å; E179-T183 WeakPolarHBondContact O-CB 3.46Å; E179-T183 PolarHBondContact O-N 2.94Å; E179-T183 PolarHBondContact O-OG1 2.77Å |
| 180 | T | 76.5 | Confident | 68.2 | Low | 101 Ų | 101 | 101.4 Ų | 101.4 | 62% | 0.62 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.7 | -47.1 | 172.8 | -57.9 | 0 | 0 | 0 | 0 | 111 | P176 V177 T183 G184 | P176-T180 WeakPolarHBondContact O-CB 3.22Å; P176-T180 PolarHBondContact O-N 3.01Å; P176-T180 PolarHBondContact O-OG1 3.38Å; V177-T180 PolarHBondContact O-N 2.76Å; T180-T183 PolarHBondContact O-N 2.98Å; T180-G184 PolarHBondContact O-N 3.44Å |
| 181 | L | 80.3 | Confident | 69.2 | Low | 112 Ų | 112 | 104.5 Ų | 104.5 | 59% | 0.586 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.5 | -44.8 | 175.1 | -83.2 | 164.2 | 0 | 0 | 0 | 112.2 | V177 F178 T183 G184 V185 | V177-L181 HydrophobicContact CG1-CD1 4.2Å; V177-L181 WeakPolarHBondContact O-CB 3.42Å; V177-L181 WeakPolarHBondContact O-CG 3.41Å; V177-L181 PolarHBondContact O-N 3.24Å; F178-L181 PolarHBondContact O-N 3.44Å; L181-T183 VanDerWaalsContact C-N 3.32Å; L181-T183 PolarHBondContact O-N 2.92Å; L181-G184 PolarHBondContact O-N 3.28Å; L181-V185 WeakPolarHBondContact O-CG2 3.14Å; L181-V185 PolarHBondContact O-N 2.89Å |
| 182 | R | 77.9 | Confident | 69.7 | Low | 101 Ų | 101 | 107.4 Ų | 107.4 | 38% | 0.381 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 176.6 | -170.4 | -169.3 | -63 | 149.6 | 11.9 | 110.9 | F178 E179 V185 I186 | F178-R182 WeakPolarHBondContact O-CB 3.45Å; F178-R182 PolarHBondContact O-N 3.17Å; E179-R182 VanDerWaalsContact CD-CZ 3.47Å; E179-R182 PolarHBondContact O-N 2.9Å; E179-R182 IonicContact OE1-CZ 2.64Å; E179-R182 IonicContact OE1-NH1 2.61Å; E179-R182 PolarHBondContact OE1-NH1 3.31Å; E179-R182 IonicContact OE1-NH2 3.77Å; E179-R182 PolarHBondContact OE1-NH2 2.98Å; E179-R182 IonicContact OE2-CZ 3.76Å; E179-R182 IonicContact OE2-NE 2.73Å; E179-R182 IonicContact OE2-NH1 2.68Å; E179-R182 PolarHBondContact OE2-NH1 3.06Å; E179-R182 IonicContact OE2-NH2 2.96Å; R182-V185 PolarHBondContact O-N 2.63Å; R182-I186 HydrophobicContact CG-CD1 3.89Å; R182-I186 VanDerWaalsContact O-CG1 3.29Å; R182-I186 WeakPolarHBondContact O-CG1 3.4Å; R182-I186 PolarHBondContact O-N 3.04Å |
| 183 | T | 78.1 | Confident | 70.4 | Confident | 75 Ų | 75 | 109 Ų | 109 | 46% | 0.46 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63 | -46.8 | -179.9 | -59 | 0 | 0 | 0 | 0 | 111.2 | E179 T180 L181 V185 I186 M187 | E179-T183 WeakPolarHBondContact O-CB 3.46Å; E179-T183 PolarHBondContact O-N 2.94Å; E179-T183 PolarHBondContact O-OG1 2.77Å; T180-T183 PolarHBondContact O-N 2.98Å; L181-T183 VanDerWaalsContact C-N 3.32Å; L181-T183 PolarHBondContact O-N 2.92Å; T183-V185 PolarHBondContact O-N 3.33Å; T183-I186 PolarHBondContact O-N 2.85Å; T183-M187 HydrophobicContact CG2-SD 4.06Å; T183-M187 WeakPolarHBondContact O-CG 3.41Å; T183-M187 PolarHBondContact O-N 2.87Å |
| 184 | G | 81.5 | Confident | 70.3 | Confident | 36 Ų | 36 | 106.6 Ų | 106.6 | 37% | 0.371 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T180 L181 M187 A188 | T180-G184 PolarHBondContact O-N 3.44Å; L181-G184 PolarHBondContact O-N 3.28Å; G184-M187 PolarHBondContact O-N 3.18Å; G184-A188 WeakPolarHBondContact O-CB 3.44Å; G184-A188 PolarHBondContact O-N 2.85Å |
| 185 | V | 80.6 | Confident | 70.1 | Confident | 85 Ų | 85 | 104 Ų | 104 | 52% | 0.515 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67 | -37.5 | 176.1 | 170.7 | 0 | 0 | 0 | 0 | 112.1 | L181 R182 T183 N189 | L181-V185 WeakPolarHBondContact O-CG2 3.14Å; L181-V185 PolarHBondContact O-N 2.89Å; R182-V185 PolarHBondContact O-N 2.63Å; T183-V185 PolarHBondContact O-N 3.33Å; V185-N189 WeakPolarHBondContact O-CB 3.4Å; V185-N189 PolarHBondContact O-N 3.05Å; V185-N189 PolarHBondContact O-ND2 3.08Å |
| 186 | I | 77.7 | Confident | 69.2 | Low | 103 Ų | 103 | 108 Ų | 108 | 53% | 0.528 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.3 | -45.7 | 174.8 | -71.9 | 168.1 | 0 | 0 | 0 | 110.5 | R182 T183 N189 K190 | R182-I186 HydrophobicContact CG-CD1 3.89Å; R182-I186 VanDerWaalsContact O-CG1 3.29Å; R182-I186 WeakPolarHBondContact O-CG1 3.4Å; R182-I186 PolarHBondContact O-N 3.04Å; T183-I186 PolarHBondContact O-N 2.85Å; I186-N189 PolarHBondContact O-N 3.12Å; I186-K190 WeakPolarHBondContact O-CB 3.37Å; I186-K190 PolarHBondContact O-N 2.93Å |
| 187 | M | 71.1 | Confident | 67.8 | Low | 117 Ų | 117 | 106.9 Ų | 106.9 | 58% | 0.576 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -58.3 | -53.5 | 176.6 | -73.5 | 165.3 | 52.7 | 0 | 0 | 111.8 | T183 G184 N189 K190 E191 | T183-M187 HydrophobicContact CG2-SD 4.06Å; T183-M187 WeakPolarHBondContact O-CG 3.41Å; T183-M187 PolarHBondContact O-N 2.87Å; G184-M187 PolarHBondContact O-N 3.18Å; M187-N189 PolarHBondContact O-N 3.38Å; M187-N189 VanDerWaalsContact O-N 3.14Å; M187-K190 WeakPolarHBondContact O-CB 3.33Å; M187-K190 PolarHBondContact O-N 2.82Å; M187-E191 PolarHBondContact O-N 3.29Å; M187-E191 VanDerWaalsContact O-N 3.1Å |
| 188 | A | 69.8 | Low | 66.7 | Low | 33 Ų | 33 | 109.2 Ų | 109.2 | 27% | 0.273 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.9 | -19.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G184 R192 | G184-A188 WeakPolarHBondContact O-CB 3.44Å; G184-A188 PolarHBondContact O-N 2.85Å; A188-R192 WeakPolarHBondContact O-CG 3.48Å; A188-R192 PolarHBondContact O-NH1 2.94Å |
| 189 | N | 68.9 | Low | 65.7 | Low | 86 Ų | 86 | 112.7 Ų | 112.7 | 46% | 0.46 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -91.3 | -27.8 | 172.5 | -73.4 | -34.5 | 0 | 0 | 0 | 112.8 | V185 I186 M187 R192 K193 | V185-N189 WeakPolarHBondContact O-CB 3.4Å; V185-N189 PolarHBondContact O-N 3.05Å; V185-N189 PolarHBondContact O-ND2 3.08Å; I186-N189 PolarHBondContact O-N 3.12Å; M187-N189 PolarHBondContact O-N 3.38Å; M187-N189 VanDerWaalsContact O-N 3.14Å; N189-R192 PolarHBondContact O-N 3.28Å; N189-K193 PolarHBondContact O-N 3.4Å; N189-K193 VanDerWaalsContact O-N 3.11Å |
| 190 | K | 70.1 | Confident | 64.2 | Low | 162 Ų | 162 | 120 Ų | 120 | 70% | 0.704 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.5 | -41.4 | 172.7 | -172.3 | 175.7 | -180 | 179.3 | 0 | 111.5 | I186 M187 K193 K194 | I186-K190 WeakPolarHBondContact O-CB 3.37Å; I186-K190 PolarHBondContact O-N 2.93Å; M187-K190 WeakPolarHBondContact O-CB 3.33Å; M187-K190 PolarHBondContact O-N 2.82Å; K190-K193 PolarHBondContact O-N 3.27Å; K190-K194 PolarHBondContact O-N 2.69Å; K190-K194 VanDerWaalsContact O-N 3.08Å |
| 191 | E | 59.3 | Low | 62.5 | Low | 150 Ų | 150 | 121.1 Ų | 121.1 | 70% | 0.701 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.2 | -45.9 | 174.4 | -67.5 | 179.7 | 141.9 | 0 | 0 | 111.9 | M187 K193 K194 G195 | M187-E191 PolarHBondContact O-N 3.29Å; M187-E191 VanDerWaalsContact O-N 3.1Å; E191-K193 VanDerWaalsContact C-N 3.29Å; E191-K193 PolarHBondContact O-N 2.84Å; E191-K194 PolarHBondContact O-N 3.05Å; E191-K194 VanDerWaalsContact O-N 3.09Å; E191-G195 PolarHBondContact O-N 2.74Å |
| 192 | R | 59.2 | Low | 60.3 | Low | 174 Ų | 174 | 122.1 Ų | 122.1 | 66% | 0.657 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -61.3 | -33.4 | 176.6 | -72.7 | -178.9 | 176.6 | 94.2 | -1.6 | 113.4 | A188 N189 | A188-R192 WeakPolarHBondContact O-CG 3.48Å; A188-R192 PolarHBondContact O-NH1 2.94Å; N189-R192 PolarHBondContact O-N 3.28Å |
| 193 | K | 56.3 | Low | 58.1 | Low | 169 Ų | 169 | 124.9 Ų | 124.9 | 74% | 0.735 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73.8 | -32.3 | 172.8 | -88.7 | -162.6 | 170.1 | -169.5 | 0 | 113.5 | N189 K190 E191 G195 Q196 | N189-K193 PolarHBondContact O-N 3.4Å; N189-K193 VanDerWaalsContact O-N 3.11Å; K190-K193 PolarHBondContact O-N 3.27Å; E191-K193 VanDerWaalsContact C-N 3.29Å; E191-K193 PolarHBondContact O-N 2.84Å; K193-G195 VanDerWaalsContact C-N 3.32Å; K193-G195 PolarHBondContact O-N 2.68Å; K193-Q196 PolarHBondContact O-N 2.73Å |
| 194 | K | 54.3 | Low | 56.1 | Low | 174 Ų | 174 | 126.1 Ų | 126.1 | 76% | 0.757 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -64.1 | -37.9 | 178.9 | -164.2 | 179.3 | 179.9 | -172.3 | 0 | 111.7 | K190 E191 Q196 | K190-K194 PolarHBondContact O-N 2.69Å; K190-K194 VanDerWaalsContact O-N 3.08Å; E191-K194 PolarHBondContact O-N 3.05Å; E191-K194 VanDerWaalsContact O-N 3.09Å; K194-Q196 VanDerWaalsContact C-N 3.27Å; K194-Q196 PolarHBondContact O-N 2.83Å |
| 195 | G | 50 | Low | 53.9 | Low | 69 Ų | 69 | 128.5 Ų | 128.5 | 71% | 0.711 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 10.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | E191 K193 | E191-G195 PolarHBondContact O-N 2.74Å; K193-G195 VanDerWaalsContact C-N 3.32Å; K193-G195 PolarHBondContact O-N 2.68Å |
| 196 | Q | 49.9 | Very low | 51.5 | Low | 165 Ų | 165 | 133.7 Ų | 133.7 | 77% | 0.771 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.3 | 1.6 | -176.6 | -162.1 | 168 | 74.5 | 0 | 0 | 113.9 | K193 K194 | K193-Q196 PolarHBondContact O-N 2.73Å; K194-Q196 VanDerWaalsContact C-N 3.27Å; K194-Q196 PolarHBondContact O-N 2.83Å |
| 197 | A | 44.2 | Very low | 49.3 | Very low | 72 Ų | 72 | 136.6 Ų | 136.6 | 60% | 0.595 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -80 | -37 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | K199 | A197-K199 PolarHBondContact O-N 3.46Š|
| 198 | D | 51.2 | Low | 47.4 | Very low | 141 Ų | 141 | 139.1 Ų | 139.1 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -79.9 | 18.6 | -164.1 | -48.5 | -70.2 | 0 | 0 | 0 | 115.6 | ||
| 199 | K | 53 | Low | 45.6 | Very low | 191 Ų | 191 | 145.7 Ų | 145.7 | 83% | 0.83 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -139.9 | 62.4 | -177.2 | -69.1 | -167.4 | 176.2 | -177.1 | 0 | 114.2 | A197 | A197-K199 PolarHBondContact O-N 3.46Š|
| 200 | K | 37.3 | Very low | 44 | Very low | 204 Ų | 204 | 149.9 Ų | 149.9 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | trans | 176.5 | 136.8 | 157.7 | -92 | 144.1 | -173.9 | -176.7 | 0 | 106.7 | ||||
| 201 | N | 40.7 | Very low | 42.8 | Very low | 125 Ų | 125 | 146.9 Ų | 146.9 | 67% | 0.668 | 77% | 0.767 | S | S | * | * | cis | -160 | 137 | -5.4 | 165.4 | 48.5 | 0 | 0 | 0 | 107.6 | L203 | N201-L203 PolarHBondContact OD1-N 3.44Š| ||
| 202 | P | 34.8 | Very low | 41.1 | Very low | 133 Ų | 133 | 148.3 Ų | 148.3 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | -139.5 | 91.7 | 150.5 | 35.2 | -18.1 | 0 | 0 | 0 | 113 | ||||
| 203 | L | 32.6 | Very low | 39.5 | Very low | 159 Ų | 159 | 144.5 Ų | 144.5 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | -136.4 | 83.5 | 157.8 | -175.9 | 67.5 | 0 | 0 | 0 | 109 | N201 | N201-L203 PolarHBondContact OD1-N 3.44Š| ||
| 204 | A | 35.3 | Very low | 38 | Very low | 101 Ų | 101 | 141 Ų | 141 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | -164.3 | 40.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 205 | A | 35.2 | Very low | 36.9 | Very low | 85 Ų | 85 | 144 Ų | 144 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -149.5 | 122.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 206 | M | 30.1 | Very low | 36.4 | Very low | 195 Ų | 195 | 145.8 Ų | 145.8 | 96% | 0.961 | 78% | 0.782 | S | S | * | * | trans | 73.2 | 133.9 | 159.3 | -51 | -174 | 179.4 | 0 | 0 | 117.3 | ||||
| 207 | M | 32 | Very low | 35.2 | Very low | 164 Ų | 164 | 145.1 Ų | 145.1 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | trans | -101.6 | 145.9 | 176.9 | -63.7 | 151.6 | 50.3 | 0 | 0 | 108.3 | ||||
| 208 | E | 31.2 | Very low | 34.5 | Very low | 170 Ų | 170 | 150.5 Ų | 150.5 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | 169.6 | 151.6 | 112.9 | -91.3 | 173.2 | 175.7 | 0 | 0 | 113.4 | |||||
| 209 | E | 32.4 | Very low | 33.3 | Very low | 171 Ų | 171 | 147.6 Ų | 147.6 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | trans | 28.2 | 124 | 159.5 | -55.9 | -162.7 | 124.5 | 0 | 0 | 124.9 | ||||
| 210 | E | 35.7 | Very low | 32.1 | Very low | 174 Ų | 174 | 148.2 Ų | 148.2 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | 69.2 | 165.3 | 127.4 | -70 | -72.8 | 81.3 | 0 | 0 | 121.6 | |||||
| 211 | P | 43.7 | Very low | 32.4 | Very low | 98 Ų | 98 | 142.9 Ų | 142.9 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | -123.9 | -159.8 | -148.3 | 46.2 | -34.5 | 0 | 0 | 0 | 115.6 | ||||
| 212 | E | 24 | Very low | 31.8 | Very low | 181 Ų | 181 | 145.1 Ų | 145.1 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | 72.2 | 154 | 170.4 | -76.5 | -157 | 96.4 | 0 | 0 | 117.1 | ||||
| 213 | S | 25.2 | Very low | 31.3 | Very low | 94 Ų | 94 | 146.2 Ų | 146.2 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | cis | -159.2 | 179.2 | -16.1 | 53.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 214 | A | 25.9 | Very low | 31 | Very low | 95 Ų | 95 | 141.6 Ų | 141.6 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | 70.3 | 146 | 151.4 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 215 | R | 31.3 | Very low | 30.7 | Very low | 238 Ų | 238 | 143.1 Ų | 143.1 | 90% | 0.898 | 77% | 0.774 | S | S | * | * | trans | -105.2 | -165.1 | 156.4 | -48.9 | 176.5 | 179 | 170.3 | -1.8 | 106.4 | ||||
| 216 | P | 39.5 | Very low | 30.8 | Very low | 105 Ų | 105 | 144.3 Ų | 144.3 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | cis | -143.3 | -154.2 | -1 | 27.5 | 1.9 | 0 | 0 | 0 | 114.2 | ||||
| 217 | E | 25 | Very low | 30.7 | Very low | 151 Ų | 151 | 143 Ų | 143 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | 81 | 119.4 | 155.6 | -52.4 | -49 | 72.8 | 0 | 0 | 125.1 | ||||
| 218 | E | 28.2 | Very low | 30.6 | Very low | 186 Ų | 186 | 138.2 Ų | 138.2 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | trans | 52.5 | 141.8 | 130.5 | -55.9 | -152.2 | 121.6 | 0 | 0 | 124.6 | ||||
| 219 | G | 25.3 | Very low | 30.7 | Very low | 80 Ų | 80 | 135.6 Ų | 135.6 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | trans | 171.7 | 115.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 220 | K | 28 | Very low | 30.9 | Very low | 204 Ų | 204 | 135.5 Ų | 135.5 | 89% | 0.887 | 75% | 0.747 | S | S | * | * | trans | -156.4 | 169 | 172 | -129.2 | -169.8 | 174.6 | -177.5 | 0 | 107.1 | ||||
| 221 | P | 43.3 | Very low | 30.6 | Very low | 92 Ų | 92 | 135.2 Ų | 135.2 | 60% | 0.597 | 74% | 0.743 | S | S | * | * | cis | -136.3 | -152.5 | -3.2 | 38.7 | -15.9 | 0 | 0 | 0 | 113.6 | ||||
| 222 | Q | 28.1 | Very low | 29.9 | Very low | 172 Ų | 172 | 134 Ų | 134 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | 71.5 | 146.8 | 165.2 | -68.9 | 165.8 | -11.5 | 0 | 0 | 116.4 | ||||
| 223 | D | 25.7 | Very low | 30.4 | Very low | 155 Ų | 155 | 132.1 Ų | 132.1 | 83% | 0.829 | 73% | 0.732 | S | S | * | * | cis | -148.8 | -171.6 | -11.7 | -134.2 | -125.5 | 0 | 0 | 0 | 109.2 | ||||
| 224 | G | 24.9 | Very low | 30.8 | Very low | 62 Ų | 62 | 138 Ų | 138 | 64% | 0.639 | 75% | 0.746 | S | S | * | * | cis | -172.4 | -152.6 | 9.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 225 | N | 28.9 | Very low | 31 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | trans | -149.7 | 159.2 | -172 | -179.8 | 64.7 | 0 | 0 | 0 | 114 | E227 | N225-E227 PolarHBondContact ND2-N 2.95Å; N225-E227 VanDerWaalsContact ND2-N 3.18Å | ||
| 226 | P | 38.8 | Very low | 30.9 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 71% | 0.714 | 74% | 0.739 | S | S | * | * | -138 | 136.4 | 124.4 | 37.1 | -25.2 | 0 | 0 | 0 | 112.4 | |||||
| 227 | E | 28.5 | Very low | 31.4 | Very low | 168 Ų | 168 | 136.7 Ų | 136.7 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | 60.8 | 126.4 | 65.9 | -74 | -163.7 | 118.3 | 0 | 0 | 114.8 | N225 | N225-E227 PolarHBondContact ND2-N 2.95Å; N225-E227 VanDerWaalsContact ND2-N 3.18Å | |||
| 228 | G | 28.5 | Very low | 31.6 | Very low | 63 Ų | 63 | 137 Ų | 137 | 65% | 0.649 | 75% | 0.747 | S | S | * | * | cis | -176.8 | -179.2 | -5.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 229 | D | 34.1 | Very low | 32.2 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 62% | 0.615 | 74% | 0.735 | S | S | * | * | trans | 64.5 | 157.5 | 134.4 | -72 | -31.3 | 0 | 0 | 0 | 122.4 | ||||
| 230 | K | 35.2 | Very low | 32.7 | Very low | 169 Ų | 169 | 139.3 Ų | 139.3 | 74% | 0.735 | 74% | 0.737 | S | S | * | * | cis | -165.5 | 162.7 | -10.1 | -111.8 | 156.1 | -170.2 | 140.1 | 0 | 105.9 | ||||
| 231 | K | 30.1 | Very low | 33.4 | Very low | 168 Ų | 168 | 136.3 Ų | 136.3 | 73% | 0.73 | 73% | 0.726 | S | S | * | * | cis | -159.1 | -172.1 | -2.9 | -144.3 | -165.8 | -179 | -154.9 | 0 | 105 | E233 | K231-E233 WeakPolarHBondContact CE-OE2 3.34Å; K231-E233 IonicContact NZ-OE2 3.23Å; K231-E233 PolarHBondContact NZ-OE2 2.9Å | ||
| 232 | A | 30.1 | Very low | 33 | Very low | 72 Ų | 72 | 141.6 Ų | 141.6 | 60% | 0.595 | 74% | 0.74 | S | S | * | * | cis | -160.2 | 146.7 | 2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 233 | E | 33.6 | Very low | 34 | Very low | 142 Ų | 142 | 139.5 Ų | 139.5 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | trans | 37.7 | 122.5 | 130.2 | -57.7 | 176.1 | 89.6 | 0 | 0 | 123.9 | K231 | K231-E233 WeakPolarHBondContact CE-OE2 3.34Å; K231-E233 IonicContact NZ-OE2 3.23Å; K231-E233 PolarHBondContact NZ-OE2 2.9Å | ||
| 234 | K | 33.1 | Very low | 34.6 | Very low | 217 Ų | 217 | 138 Ų | 138 | 94% | 0.943 | 73% | 0.729 | S | S | * | * | -150.2 | 166.8 | 118.8 | -146.2 | 169.4 | -177.8 | 178.6 | 0 | 110.9 | |||||
| 235 | K | 31.2 | Very low | 35.1 | Very low | 171 Ų | 171 | 138.2 Ų | 138.2 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | -115.4 | 146.1 | -164.3 | -64.4 | -179.4 | 176.4 | 179.5 | 0 | 114.6 | ||||
| 236 | T | 27.9 | Very low | 35.8 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | trans | 58.2 | 157.5 | 141.6 | 52.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 237 | P | 51.3 | Low | 36.1 | Very low | 112 Ų | 112 | 140 Ų | 140 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | cis | -136.6 | -158.6 | -33.2 | 37.7 | -17.8 | 0 | 0 | 0 | 112.3 | ||||
| 238 | D | 28.8 | Very low | 37.1 | Very low | 157 Ų | 157 | 141.1 Ų | 141.1 | 84% | 0.84 | 73% | 0.729 | S | S | * | * | trans | 91 | 172 | 150 | -126.2 | -95.6 | 0 | 0 | 0 | 121.4 | ||||
| 239 | D | 39.8 | Very low | 38.6 | Very low | 115 Ų | 115 | 140.1 Ų | 140.1 | 62% | 0.615 | 71% | 0.712 | S | S | * | * | trans | -79.1 | 138.4 | -141 | -153.6 | -59.6 | 0 | 0 | 0 | 116.8 | H241 | D239-H241 PolarHBondContact OD1-N 3.05Š| ||
| 240 | K | 37 | Very low | 40.6 | Very low | 200 Ų | 200 | 136.7 Ų | 136.7 | 87% | 0.87 | 69% | 0.692 | S | S | * | * | -160.9 | 87.7 | 129.7 | -106.1 | 149.3 | -164.7 | 167.8 | 0 | 114.3 | K242 | K240-K242 PolarHBondContact O-N 3.28Š| |||
| 241 | H | 42.7 | Very low | 43.1 | Very low | 140 Ų | 140 | 132.6 Ų | 132.6 | 65% | 0.648 | 67% | 0.673 | S | S | * | * | trans | 13.3 | 80.9 | 142.7 | -158 | 52.3 | 0 | 0 | 0 | 117 | D239 Q243 | D239-H241 PolarHBondContact OD1-N 3.05Å; H241-Q243 VanDerWaalsContact C-N 3.26Å; H241-Q243 VanDerWaalsContact CD2-CG 3.43Å; H241-Q243 WeakPolarHBondContact CD2-CG 3.29Å; H241-Q243 PolarHBondContact CD2-NE2 3.39Å; H241-Q243 WeakPolarHBondContact NE2-CG 3.42Å; H241-Q243 PolarHBondContact NE2-NE2 3.26Å; H241-Q243 PolarHBondContact O-N 2.96Å | ||
| 242 | K | 35.2 | Very low | 46.1 | Very low | 203 Ų | 203 | 125.5 Ų | 125.5 | 88% | 0.883 | 64% | 0.642 | S | S | * | * | trans | -74.3 | 78.4 | 170.6 | -171.3 | -174.8 | -179.3 | -178.8 | 0 | 110.1 | K240 | K240-K242 PolarHBondContact O-N 3.28Š| ||
| 243 | Q | 47.9 | Very low | 49.2 | Very low | 128 Ų | 128 | 122.1 Ų | 122.1 | 60% | 0.598 | 61% | 0.614 | S | S | * | * | trans | -58 | 137.4 | 170.8 | -69.1 | -157.5 | -13.5 | 0 | 0 | 110.2 | H241 G245 | H241-Q243 VanDerWaalsContact C-N 3.26Å; H241-Q243 VanDerWaalsContact CD2-CG 3.43Å; H241-Q243 WeakPolarHBondContact CD2-CG 3.29Å; H241-Q243 PolarHBondContact CD2-NE2 3.39Å; H241-Q243 WeakPolarHBondContact NE2-CG 3.42Å; H241-Q243 PolarHBondContact NE2-NE2 3.26Å; H241-Q243 PolarHBondContact O-N 2.96Å; Q243-G245 PolarHBondContact O-N 3.47Å | ||
| 244 | P | 38.6 | Very low | 52.2 | Low | 124 Ų | 124 | 115.3 Ų | 115.3 | 81% | 0.805 | 58% | 0.582 | S | S | * | * | trans | -64.9 | 103.1 | 160.3 | 28.7 | -30.7 | 0 | 0 | 0 | 106.8 | F246 | P244-F246 PolarHBondContact O-N 2.97Š| ||
| 245 | G | 35.5 | Very low | 55 | Low | 67 Ų | 67 | 105.5 Ų | 105.5 | 69% | 0.691 | 54% | 0.54 | S | S | * | . | trans | -59.5 | 98.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q243 Q247 | Q243-G245 PolarHBondContact O-N 3.47Å; G245-Q247 PolarHBondContact O-N 2.94Å | ||
| 246 | F | 43.4 | Very low | 57.9 | Low | 118 Ų | 118 | 101.2 Ų | 101.2 | 52% | 0.518 | 52% | 0.52 | S | S | . | . | trans | -63 | 107.1 | 178.7 | -159.6 | -83 | 0 | 0 | 0 | 107.8 | P244 Q248 H250 | P244-F246 PolarHBondContact O-N 2.97Å; F246-Q248 WeakPolarHBondContact O-CG 3.42Å; F246-Q248 PolarHBondContact O-N 3.05Å; F246-H250 HydrophobicContact CE1-CB 4.42Å | ||
| 247 | Q | 45.2 | Very low | 61.1 | Low | 162 Ų | 162 | 99.9 Ų | 99.9 | 76% | 0.757 | 50% | 0.5 | S | S | * | . | trans | -60.3 | 112.6 | -179.3 | -68.5 | -179.6 | -15.2 | 0 | 0 | 108 | G245 S249 | G245-Q247 PolarHBondContact O-N 2.94Å; Q247-S249 PolarHBondContact O-N 3.22Å | ||
| 248 | Q | 50.2 | Low | 63.1 | Low | 192 Ų | 192 | 95.5 Ų | 95.5 | 90% | 0.897 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -73.9 | 29.5 | -167.4 | -62.2 | -176.7 | -15.5 | 0 | 0 | 113.9 | F246 H250 | F246-Q248 WeakPolarHBondContact O-CG 3.42Å; F246-Q248 PolarHBondContact O-N 3.05Å; Q248-H250 PolarHBondContact O-N 3.44Å |
| 249 | S | 59.7 | Low | 66.1 | Low | 41 Ų | 41 | 94.8 Ų | 94.8 | 29% | 0.287 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -81.3 | 4.1 | 173.1 | 59.6 | 0 | 0 | 0 | 0 | 113.1 | Q247 R305 T306 | Q247-S249 PolarHBondContact O-N 3.22Å; S249-R305 CarbonylContact O-C 3.55Å; S249-R305 WeakPolarHBondContact O-CA 3.21Å; S249-T306 VanDerWaalsContact CA-OG1 3.24Å; S249-T306 WeakPolarHBondContact CA-OG1 3.46Å; S249-T306 WeakPolarHBondContact CB-OG1 3.34Å; S249-T306 PolarHBondContact O-N 2.88Å; S249-T306 PolarHBondContact O-OG1 3.04Å; S249-T306 VanDerWaalsContact O-OG1 3.07Å |
| 250 | H | 75.6 | Confident | 68.6 | Low | 44 Ų | 44 | 91.2 Ų | 91.2 | 20% | 0.204 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 131.9 | -175.8 | -55.4 | -35.5 | 0 | 0 | 0 | 111.7 | F246 Q248 R303 V304 | F246-H250 HydrophobicContact CE1-CB 4.42Å; Q248-H250 PolarHBondContact O-N 3.44Å; H250-R303 HydrophobicContact CB-CG 4.43Å; H250-R303 PolarHBondContact CD2-NE 3.02Å; H250-R303 PolarHBondContact CD2-NH2 3.32Å; H250-R303 PolarHBondContact NE2-NH2 3.4Å; H250-V304 VanDerWaalsContact CA-O 3.3Å; H250-V304 WeakPolarHBondContact CA-O 3.33Å |
| 251 | Y | 89.1 | Confident | 71.1 | Confident | 83 Ų | 83 | 89.2 Ų | 89.2 | 33% | 0.325 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 168.7 | 166.6 | 65.4 | -83.2 | 0 | 0 | 0 | 109.1 | V253 K273 V304 V310 | Y251-V253 HydrophobicContact CD2-CG2 3.88Å; Y251-V253 HydrophobicContact CE2-CG2 3.55Å; Y251-K273 HydrophobicContact CD2-CG 4.13Å; Y251-K273 HydrophobicContact CE2-CD 4.3Å; Y251-K273 HydrophobicContact CE2-CG 4Å; Y251-V304 HydrophobicContact CD1-CB 4.27Å; Y251-V304 HydrophobicContact CD2-CB 4.26Å; Y251-V304 HydrophobicContact CD2-CG2 4.34Å; Y251-V304 HydrophobicContact CE1-CB 3.94Å; Y251-V304 HydrophobicContact CE1-CG1 3.86Å; Y251-V304 HydrophobicContact CE2-CB 3.95Å; Y251-V304 HydrophobicContact CE2-CG1 4.24Å; Y251-V304 HydrophobicContact CE2-CG2 3.97Å; Y251-V304 HydrophobicContact CG-CB 4.42Å; Y251-V304 PolarHBondContact N-O 3.23Å; Y251-V304 VanDerWaalsContact N-O 3.15Å; Y251-V304 PolarHBondContact O-N 2.84Å; Y251-V310 HydrophobicContact CE2-CG2 4.48Å |
| 252 | F | 93.4 | Very high | 73.4 | Confident | 19 Ų | 19 | 89.5 Ų | 89.5 | 8% | 0.083 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 151.9 | 177.4 | -59.7 | -98.2 | 0 | 0 | 0 | 110.6 | I274 V276 W285 I301 I302 R303 | F252-I274 PolarHBondContact N-O 3.18Å; F252-I274 PolarHBondContact O-N 2.91Å; F252-V276 HydrophobicContact CD2-CB 4.23Å; F252-V276 HydrophobicContact CD2-CG2 3.54Å; F252-V276 HydrophobicContact CE2-CB 3.99Å; F252-V276 HydrophobicContact CE2-CG2 3.62Å; F252-V276 HydrophobicContact CG-CG2 4.03Å; F252-V276 HydrophobicContact CZ-CG2 4.15Å; F252-W285 HydrophobicContact CE1-CZ3 4.04Å; F252-W285 HydrophobicContact CZ-CZ3 4.24Å; F252-I301 HydrophobicContact CB-CB 4.41Å; F252-I301 HydrophobicContact CB-CD1 3.94Å; F252-I301 HydrophobicContact CD1-CD1 3.6Å; F252-I301 HydrophobicContact CD1-CG1 4.39Å; F252-I301 HydrophobicContact CE1-CD1 4.23Å; F252-I301 HydrophobicContact CG-CD1 3.89Å; F252-I302 CarbonylContact C-O 3.53Å; F252-I302 VanDerWaalsContact CA-O 3.26Å; F252-I302 WeakPolarHBondContact CA-O 3.46Å; F252-R303 HydrophobicContact CD1-CB 3.79Å; F252-R303 HydrophobicContact CD1-CG 4.36Å; F252-R303 HydrophobicContact CE1-CB 3.62Å; F252-R303 HydrophobicContact CE1-CG 3.96Å; F252-R303 HydrophobicContact CZ-CB 4.46Å; F252-R303 HydrophobicContact CZ-CG 4.33Å |
| 253 | V | 94.6 | Very high | 76 | Confident | 0 Ų | 0 | 89.9 Ų | 89.9 | 0% | 0 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 141.4 | 175.6 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | Y251 L255 E272 K273 I301 I302 V304 V310 I333 | Y251-V253 HydrophobicContact CD2-CG2 3.88Å; Y251-V253 HydrophobicContact CE2-CG2 3.55Å; V253-L255 PolarHBondContact O-N 3.25Å; V253-E272 CarbonylContact C-O 3.45Å; V253-E272 VanDerWaalsContact CA-O 3.3Å; V253-E272 WeakPolarHBondContact CA-O 3.15Å; V253-K273 HydrophobicContact CG2-CG 3.91Å; V253-I301 CarbonylContact O-C 3.53Å; V253-I301 VanDerWaalsContact O-CA 3.25Å; V253-I301 WeakPolarHBondContact O-CA 3.47Å; V253-I302 HydrophobicContact CB-CG2 4.2Å; V253-I302 PolarHBondContact N-O 3.4Å; V253-I302 PolarHBondContact O-N 3.47Å; V253-V304 HydrophobicContact CB-CG2 4.33Å; V253-V304 HydrophobicContact CG2-CG2 3.85Å; V253-V310 HydrophobicContact CB-CG1 4.47Å; V253-V310 HydrophobicContact CG1-CG1 4.15Å; V253-V310 HydrophobicContact CG2-CG1 4.4Å; V253-V310 HydrophobicContact CG2-CG2 4.25Å; V253-I333 HydrophobicContact CG1-CG2 4.1Å |
| 254 | A | 95.4 | Very high | 78 | Confident | 0 Ų | 0 | 88.3 Ų | 88.3 | 0% | 0 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 122.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F268 P269 G271 E272 I274 | A254-F268 HydrophobicContact CB-CD2 3.37Å; A254-F268 HydrophobicContact CB-CE2 3.57Å; A254-F268 HydrophobicContact CB-CG 4.36Å; A254-P269 WeakPolarHBondContact CB-O 3.35Å; A254-G271 PolarHBondContact O-N 3.08Å; A254-E272 HydrophobicContact CB-CB 4.33Å; A254-E272 PolarHBondContact N-O 3.49Å; A254-I274 HydrophobicContact CB-CD1 4.21Å |
| 255 | L | 93.1 | Very high | 80.7 | Confident | 11 Ų | 11 | 83.4 Ų | 83.4 | 6% | 0.058 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -80.3 | -28.5 | 171.5 | -70.3 | 177.6 | 0 | 0 | 0 | 112.9 | V253 F300 I302 I333 | V253-L255 PolarHBondContact O-N 3.25Å; L255-F300 PolarHBondContact N-O 2.88Å; L255-I302 HydrophobicContact CD1-CB 4.06Å; L255-I302 HydrophobicContact CD2-CB 3.83Å; L255-I302 HydrophobicContact CD2-CD1 4.1Å; L255-I302 HydrophobicContact CD2-CG2 3.68Å; L255-I302 HydrophobicContact CG-CB 3.87Å; L255-I302 HydrophobicContact CG-CG2 4.05Å; L255-I333 HydrophobicContact CD2-CB 4.25Å; L255-I333 WeakPolarHBondContact CD2-O 3.4Å |
| 256 | Y | 92.4 | Very high | 83.4 | Confident | 81 Ų | 81 | 80.3 Ų | 80.3 | 32% | 0.318 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -139.3 | 156.8 | -173.3 | -54.2 | -61.2 | 0 | 0 | 0 | 110.8 | F258 F300 | Y256-F258 PolarHBondContact O-N 3.31Å; Y256-F300 HydrophobicContact CD2-CD1 4.41Å; Y256-F300 HydrophobicContact CD2-CG 4.48Å |
| 257 | R | 93.3 | Very high | 85.8 | Confident | 101 Ų | 101 | 77.1 Ų | 77.1 | 38% | 0.381 | 37% | 0.366 | S | S | . | . | trans | -64.7 | 113.2 | 168 | 178.4 | 67.5 | -178.3 | 131.1 | -4.7 | 109.2 | K259 D267 F268 | R257-K259 HydrophobicContact CG-CG 4.16Å; R257-D267 IonicContact CZ-OD1 3.81Å; R257-D267 IonicContact CZ-OD2 3.84Å; R257-D267 VanDerWaalsContact CZ-OD2 3.27Å; R257-D267 IonicContact NH1-OD1 2.77Å; R257-D267 PolarHBondContact NH1-OD1 3.2Å; R257-D267 IonicContact NH1-OD2 3.21Å; R257-D267 PolarHBondContact NH1-OD2 2.61Å; R257-D267 IonicContact NH2-OD1 2.76Å; R257-D267 PolarHBondContact NH2-OD1 3.16Å; R257-D267 IonicContact NH2-OD2 3.78Å; R257-D267 PolarHBondContact NH2-OD2 3.35Å; R257-F268 WeakPolarHBondContact CD-O 3.4Å; R257-F268 VanDerWaalsContact NH1-N 3.13Å; R257-F268 PolarHBondContact NH1-O 3.42Å | ||
| 258 | F | 93.7 | Very high | 88.2 | Confident | 19 Ų | 19 | 69.4 Ų | 69.4 | 8% | 0.083 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -95.9 | 128.8 | 160.8 | -173.3 | -124.7 | 0 | 0 | 0 | 108.2 | Y256 D265 L266 F268 W284 F296 P297 F300 | Y256-F258 PolarHBondContact O-N 3.31Å; F258-D265 HydrophobicContact CE1-CB 4.04Å; F258-D265 HydrophobicContact CZ-CB 4.41Å; F258-L266 WeakPolarHBondContact CD1-O 3.5Å; F258-F268 HydrophobicContact CB-CD1 4.43Å; F258-F268 HydrophobicContact CB-CD2 4.08Å; F258-F268 HydrophobicContact CB-CE1 4Å; F258-F268 HydrophobicContact CB-CE2 3.61Å; F258-F268 HydrophobicContact CB-CG 4.47Å; F258-F268 HydrophobicContact CB-CZ 3.56Å; F258-F268 HydrophobicContact CD1-CE1 4.09Å; F258-F268 HydrophobicContact CD1-CZ 4.34Å; F258-F268 HydrophobicContact CG-CE1 4.48Å; F258-F268 HydrophobicContact CG-CZ 4.3Å; F258-F268 PolarHBondContact N-O 3.26Å; F258-F268 VanDerWaalsContact N-O 3.14Å; F258-F268 PolarHBondContact O-N 3.31Å; F258-F268 VanDerWaalsContact O-N 3.17Å; F258-F268 VanDerWaalsContact O-O 3.06Å; F258-W284 HydrophobicContact CZ-CH2 4.23Å; F258-W284 AromaticContact CZ-CZ3 3.89Å; F258-W284 HydrophobicContact CZ-CZ3 3.89Å; F258-F296 HydrophobicContact CD1-CB 3.7Å; F258-F296 HydrophobicContact CE1-CB 3.81Å; F258-F296 HydrophobicContact CG-CB 4.48Å; F258-P297 HydrophobicContact CE2-CG 4.39Å; F258-F300 HydrophobicContact CB-CD1 3.88Å; F258-F300 HydrophobicContact CB-CE1 4.27Å; F258-F300 HydrophobicContact CD2-CD1 4.39Å; F258-F300 HydrophobicContact CD2-CE1 4.21Å |
| 259 | K | 92.7 | Very high | 90.3 | Very high | 142 Ų | 142 | 63 Ų | 63 | 62% | 0.617 | 30% | 0.304 | S | S | * | . | trans | -104.7 | 129.7 | 173.5 | -71.4 | -173.4 | 178 | -175.5 | 0 | 107.7 | R257 L261 D267 | R257-K259 HydrophobicContact CG-CG 4.16Å; K259-L261 PolarHBondContact O-N 3.39Å; K259-D267 WeakPolarHBondContact CA-OD2 3.37Å | ||
| 260 | A | 92.6 | Very high | 91.9 | Very high | 41 Ų | 41 | 63.4 Ų | 63.4 | 34% | 0.339 | 31% | 0.306 | S | S | . | . | trans | -61.3 | 134.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | D265 D267 | A260-D265 HydrophobicContact CB-CB 3.52Å; A260-D267 HydrophobicContact CB-CB 3.86Å; A260-D267 PolarHBondContact N-OD2 3.39Å | ||
| 261 | L | 89.4 | Confident | 92.8 | Very high | 158 Ų | 158 | 61.9 Ų | 61.9 | 83% | 0.827 | 30% | 0.303 | S | S | * | . | trans | -108.7 | -42.6 | 172.1 | -60 | 178 | 0 | 0 | 0 | 109.8 | K259 D265 | K259-L261 PolarHBondContact O-N 3.39Å; L261-D265 PolarHBondContact N-OD2 3.42Å | ||
| 262 | E | 90.9 | Very high | 93 | Very high | 145 Ų | 145 | 61.5 Ų | 61.5 | 68% | 0.678 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -96.2 | 168.7 | 173.8 | -60.4 | -164.5 | -175.8 | 0 | 0 | 112.1 | D264 D265 | E262-D264 VanDerWaalsContact C-N 3.27Å; E262-D264 PolarHBondContact O-N 2.87Å; E262-D265 PolarHBondContact N-OD2 3.47Å; E262-D265 PolarHBondContact O-N 2.99Å |
| 263 | K | 88.6 | Confident | 93 | Very high | 211 Ų | 211 | 65 Ų | 65 | 92% | 0.917 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -25.7 | -179.9 | -68 | 177.7 | -177.9 | 175.5 | 0 | 112.9 | ||
| 264 | D | 91.8 | Very high | 92.9 | Very high | 96 Ų | 96 | 65 Ų | 65 | 51% | 0.513 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 5 | -179 | -61.9 | -77 | 0 | 0 | 0 | 112.6 | E262 G294 F295 | E262-D264 VanDerWaalsContact C-N 3.27Å; E262-D264 PolarHBondContact O-N 2.87Å; D264-G294 CarbonylContact O-C 3.58Å; D264-G294 WeakPolarHBondContact O-CA 3.26Å; D264-F295 HydrophobicContact CB-CD2 4.21Å; D264-F295 HydrophobicContact CB-CE2 4.49Å; D264-F295 PolarHBondContact O-N 3.21Å |
| 265 | D | 93.4 | Very high | 92.8 | Very high | 20 Ų | 20 | 69.4 Ų | 69.4 | 11% | 0.107 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -77.7 | 143.1 | 172.7 | -84.4 | -33.6 | 0 | 0 | 0 | 112.3 | F258 A260 L261 E262 D267 W284 | F258-D265 HydrophobicContact CE1-CB 4.04Å; F258-D265 HydrophobicContact CZ-CB 4.41Å; A260-D265 HydrophobicContact CB-CB 3.52Å; L261-D265 PolarHBondContact N-OD2 3.42Å; E262-D265 PolarHBondContact N-OD2 3.47Å; E262-D265 PolarHBondContact O-N 2.99Å; D265-D267 PolarHBondContact O-N 3.22Å; D265-W284 WeakPolarHBondContact OD1-CZ3 3.44Å |
| 266 | L | 93.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | trans | -90.9 | 92.2 | 178.4 | -170 | 68 | 0 | 0 | 0 | 112 | F258 F268 I274 I289 K292 F295 F296 | F258-L266 WeakPolarHBondContact CD1-O 3.5Å; L266-F268 HydrophobicContact CB-CD1 4.37Å; L266-F268 HydrophobicContact CD2-CD1 4.13Å; L266-F268 HydrophobicContact CD2-CE1 4.37Å; L266-F268 HydrophobicContact CG-CD1 4.03Å; L266-F268 WeakPolarHBondContact O-CD1 3.43Å; L266-F268 WeakPolarHBondContact O-CE1 3.43Å; L266-F268 PolarHBondContact O-N 3.28Å; L266-I274 HydrophobicContact CD2-CG2 4.14Å; L266-I289 HydrophobicContact CD1-CD1 4.21Å; L266-I289 HydrophobicContact CD1-CG1 4.39Å; L266-I289 HydrophobicContact CD2-CD1 3.75Å; L266-I289 HydrophobicContact CD2-CG1 4.04Å; L266-I289 HydrophobicContact CG-CD1 3.85Å; L266-I289 HydrophobicContact CG-CG1 4.41Å; L266-K292 HydrophobicContact CD1-CB 4Å; L266-F295 PolarHBondContact N-O 3.38Å; L266-F296 HydrophobicContact CB-CD1 4.2Å; L266-F296 HydrophobicContact CD2-CD1 3.7Å; L266-F296 HydrophobicContact CD2-CE1 3.93Å | ||
| 267 | D | 93.6 | Very high | 92.8 | Very high | 52 Ų | 52 | 71.1 Ų | 71.1 | 28% | 0.278 | 36% | 0.361 | S | S | . | . | trans | -65.5 | 118.1 | 176 | -173.9 | -86 | 0 | 0 | 0 | 112.8 | R257 K259 A260 D265 | R257-D267 IonicContact CZ-OD1 3.81Å; R257-D267 IonicContact CZ-OD2 3.84Å; R257-D267 VanDerWaalsContact CZ-OD2 3.27Å; R257-D267 IonicContact NH1-OD1 2.77Å; R257-D267 PolarHBondContact NH1-OD1 3.2Å; R257-D267 IonicContact NH1-OD2 3.21Å; R257-D267 PolarHBondContact NH1-OD2 2.61Å; R257-D267 IonicContact NH2-OD1 2.76Å; R257-D267 PolarHBondContact NH2-OD1 3.16Å; R257-D267 IonicContact NH2-OD2 3.78Å; R257-D267 PolarHBondContact NH2-OD2 3.35Å; K259-D267 WeakPolarHBondContact CA-OD2 3.37Å; A260-D267 HydrophobicContact CB-CB 3.86Å; A260-D267 PolarHBondContact N-OD2 3.39Å; D265-D267 PolarHBondContact O-N 3.22Å | ||
| 268 | F | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 36% | 0.359 | C | S | . | . | B | Isolated β-bridge | trans | -144.7 | 144.8 | 177.8 | 56.5 | -107.3 | 0 | 0 | 0 | 115.9 | A254 R257 F258 L266 E272 I274 I289 F296 F300 I301 | A254-F268 HydrophobicContact CB-CD2 3.37Å; A254-F268 HydrophobicContact CB-CE2 3.57Å; A254-F268 HydrophobicContact CB-CG 4.36Å; R257-F268 WeakPolarHBondContact CD-O 3.4Å; R257-F268 VanDerWaalsContact NH1-N 3.13Å; R257-F268 PolarHBondContact NH1-O 3.42Å; F258-F268 HydrophobicContact CB-CD1 4.43Å; F258-F268 HydrophobicContact CB-CD2 4.08Å; F258-F268 HydrophobicContact CB-CE1 4Å; F258-F268 HydrophobicContact CB-CE2 3.61Å; F258-F268 HydrophobicContact CB-CG 4.47Å; F258-F268 HydrophobicContact CB-CZ 3.56Å; F258-F268 HydrophobicContact CD1-CE1 4.09Å; F258-F268 HydrophobicContact CD1-CZ 4.34Å; F258-F268 HydrophobicContact CG-CE1 4.48Å; F258-F268 HydrophobicContact CG-CZ 4.3Å; F258-F268 PolarHBondContact N-O 3.26Å; F258-F268 VanDerWaalsContact N-O 3.14Å; F258-F268 PolarHBondContact O-N 3.31Å; F258-F268 VanDerWaalsContact O-N 3.17Å; F258-F268 VanDerWaalsContact O-O 3.06Å; L266-F268 HydrophobicContact CB-CD1 4.37Å; L266-F268 HydrophobicContact CD2-CD1 4.13Å; L266-F268 HydrophobicContact CD2-CE1 4.37Å; L266-F268 HydrophobicContact CG-CD1 4.03Å; L266-F268 WeakPolarHBondContact O-CD1 3.43Å; L266-F268 WeakPolarHBondContact O-CE1 3.43Å; L266-F268 PolarHBondContact O-N 3.28Å; F268-E272 HydrophobicContact CB-CB 4.17Å; F268-E272 HydrophobicContact CB-CG 4.28Å; F268-I274 HydrophobicContact CB-CD1 4.41Å; F268-I274 HydrophobicContact CD1-CD1 3.5Å; F268-I274 VanDerWaalsContact CD1-CD1 3.5Å; F268-I274 HydrophobicContact CD2-CD1 3.95Å; F268-I274 HydrophobicContact CE1-CD1 3.58Å; F268-I274 HydrophobicContact CE2-CD1 4.02Å; F268-I274 HydrophobicContact CG-CD1 3.71Å; F268-I274 HydrophobicContact CZ-CD1 3.84Å; F268-I289 HydrophobicContact CB-CD1 3.48Å; F268-I289 VanDerWaalsContact CB-CD1 3.48Å; F268-I289 HydrophobicContact CD1-CD1 3.85Å; F268-I289 HydrophobicContact CG-CD1 4.03Å; F268-F296 HydrophobicContact CE1-CB 3.64Å; F268-F296 HydrophobicContact CE1-CD1 4.03Å; F268-F296 HydrophobicContact CE1-CD2 4.02Å; F268-F296 AromaticContact CE1-CG 3.6Å; F268-F296 HydrophobicContact CE1-CG 3.6Å; F268-F296 HydrophobicContact CZ-CB 4.03Å; F268-F296 AromaticContact CZ-CD2 3.99Å; F268-F296 HydrophobicContact CZ-CD2 3.99Å; F268-F296 HydrophobicContact CZ-CG 4.02Å; F268-F300 HydrophobicContact CE2-CB 4.34Å; F268-F300 HydrophobicContact CZ-CB 4.16Å; F268-I301 HydrophobicContact CZ-CG2 4.36Å |
| 269 | P | 94.6 | Very high | 92.5 | Very high | 56 Ų | 56 | 73 Ų | 73 | 36% | 0.364 | 38% | 0.379 | S | S | . | . | trans | -79.2 | 162.4 | 172.6 | 33.6 | -34.7 | 0 | 0 | 0 | 112.4 | A254 E272 | A254-P269 WeakPolarHBondContact CB-O 3.35Å; P269-E272 HydrophobicContact CG-CB 4.08Å; P269-E272 HydrophobicContact CG-CG 4.46Å; P269-E272 WeakPolarHBondContact CG-OE2 3.42Å; P269-E272 WeakPolarHBondContact O-CB 3.37Å; P269-E272 PolarHBondContact O-N 2.97Å | ||
| 270 | P | 94.4 | Very high | 92.4 | Very high | 50 Ų | 50 | 71.4 Ų | 71.4 | 33% | 0.325 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 135.5 | 169.4 | 29.2 | -33.9 | 0 | 0 | 0 | 110.2 | I333 | P270-I333 HydrophobicContact CB-CD1 4.32Å; P270-I333 HydrophobicContact CB-CG1 3.83Å |
| 271 | G | 92.8 | Very high | 92.2 | Very high | 13 Ų | 13 | 73.1 Ų | 73.1 | 13% | 0.134 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.4 | -11.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | A254 | A254-G271 PolarHBondContact O-N 3.08Š|
| 272 | E | 94.5 | Very high | 92.1 | Very high | 75 Ų | 75 | 74.2 Ų | 74.2 | 35% | 0.35 | 39% | 0.39 | S | S | . | . | trans | -65.9 | 139.3 | 179 | -159.1 | 63.6 | -159.5 | 0 | 0 | 111.9 | V253 A254 F268 P269 I289 | V253-E272 CarbonylContact C-O 3.45Å; V253-E272 VanDerWaalsContact CA-O 3.3Å; V253-E272 WeakPolarHBondContact CA-O 3.15Å; A254-E272 HydrophobicContact CB-CB 4.33Å; A254-E272 PolarHBondContact N-O 3.49Å; F268-E272 HydrophobicContact CB-CB 4.17Å; F268-E272 HydrophobicContact CB-CG 4.28Å; P269-E272 HydrophobicContact CG-CB 4.08Å; P269-E272 HydrophobicContact CG-CG 4.46Å; P269-E272 WeakPolarHBondContact CG-OE2 3.42Å; P269-E272 WeakPolarHBondContact O-CB 3.37Å; P269-E272 PolarHBondContact O-N 2.97Å; E272-I289 HydrophobicContact CG-CD1 4.02Å; E272-I289 HydrophobicContact CG-CG1 4.48Å; E272-I289 HydrophobicContact CG-CG2 3.75Å; E272-I289 WeakPolarHBondContact OE1-CG2 3.47Å | ||
| 273 | K | 93 | Very high | 92 | Very high | 92 Ų | 92 | 74.2 Ų | 74.2 | 40% | 0.4 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 120.3 | -179.5 | -75.7 | 159.6 | 179.5 | 161.4 | 0 | 109.8 | Y251 V253 I364 | Y251-K273 HydrophobicContact CD2-CG 4.13Å; Y251-K273 HydrophobicContact CE2-CD 4.3Å; Y251-K273 HydrophobicContact CE2-CG 4Å; V253-K273 HydrophobicContact CG2-CG 3.91Å; K273-I364 PolarHBondContact NZ-O 3.37Å; K273-I364 PolarHBondContact NZ-OXT 3.46Å |
| 274 | I | 93.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.4 | -169.4 | -49.6 | -169.9 | 0 | 0 | 0 | 110.3 | F252 A254 L266 F268 I289 F296 I301 | F252-I274 PolarHBondContact N-O 3.18Å; F252-I274 PolarHBondContact O-N 2.91Å; A254-I274 HydrophobicContact CB-CD1 4.21Å; L266-I274 HydrophobicContact CD2-CG2 4.14Å; F268-I274 HydrophobicContact CB-CD1 4.41Å; F268-I274 HydrophobicContact CD1-CD1 3.5Å; F268-I274 VanDerWaalsContact CD1-CD1 3.5Å; F268-I274 HydrophobicContact CD2-CD1 3.95Å; F268-I274 HydrophobicContact CE1-CD1 3.58Å; F268-I274 HydrophobicContact CE2-CD1 4.02Å; F268-I274 HydrophobicContact CG-CD1 3.71Å; F268-I274 HydrophobicContact CZ-CD1 3.84Å; I274-I289 HydrophobicContact CB-CG1 4.31Å; I274-I289 HydrophobicContact CD1-CD1 3.86Å; I274-I289 HydrophobicContact CG1-CD1 3.74Å; I274-I289 HydrophobicContact CG1-CG1 3.91Å; I274-I289 HydrophobicContact CG2-CD1 4.49Å; I274-I289 HydrophobicContact CG2-CG1 4.18Å; I274-F296 HydrophobicContact CG2-CE1 4.08Å; I274-F296 HydrophobicContact CG2-CZ 4.16Å; I274-I301 HydrophobicContact CD1-CG2 3.84Å |
| 275 | T | 92.8 | Very high | 92.2 | Very high | 91 Ų | 91 | 67 Ų | 67 | 56% | 0.558 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 113.2 | 169.2 | -59.4 | 0 | 0 | 0 | 0 | 108.8 | G287 K288 | T275-G287 CarbonylContact O-C 3.51Å; T275-G287 WeakPolarHBondContact O-CA 3.39Å; T275-K288 PolarHBondContact N-O 3.24Å; T275-K288 PolarHBondContact O-N 3.3Å |
| 276 | V | 92.8 | Very high | 92.2 | Very high | 28 Ų | 28 | 70.8 Ų | 70.8 | 17% | 0.17 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 134.7 | 170.3 | 178.7 | 0 | 0 | 0 | 0 | 108.7 | F252 D279 W285 F296 I301 | F252-V276 HydrophobicContact CD2-CB 4.23Å; F252-V276 HydrophobicContact CD2-CG2 3.54Å; F252-V276 HydrophobicContact CE2-CB 3.99Å; F252-V276 HydrophobicContact CE2-CG2 3.62Å; F252-V276 HydrophobicContact CG-CG2 4.03Å; F252-V276 HydrophobicContact CZ-CG2 4.15Å; V276-D279 HydrophobicContact CG1-CB 4.21Å; V276-W285 HydrophobicContact CG1-CE3 4.05Å; V276-W285 HydrophobicContact CG2-CE3 3.86Å; V276-W285 HydrophobicContact CG2-CZ3 4.26Å; V276-F296 HydrophobicContact CG2-CZ 4.34Å; V276-I301 HydrophobicContact CG2-CD1 4.03Å |
| 277 | I | 91.9 | Very high | 92.2 | Very high | 101 Ų | 101 | 70.7 Ų | 70.7 | 52% | 0.518 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | -36.6 | 177.2 | -67.4 | 177.2 | 0 | 0 | 0 | 110.4 | R286 K288 V293 | I277-R286 PolarHBondContact N-O 3.5Å; I277-K288 HydrophobicContact CD1-CB 3.63Å; I277-K288 HydrophobicContact CD1-CD 4.21Å; I277-K288 HydrophobicContact CG1-CB 4.33Å; I277-V293 HydrophobicContact CD1-CG1 4.36Å |
| 278 | D | 90.2 | Very high | 92.2 | Very high | 66 Ų | 66 | 72.5 Ų | 72.5 | 35% | 0.353 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 118.3 | -175.6 | -170.2 | -4.8 | 0 | 0 | 0 | 109.8 | S280 W285 R286 | D278-S280 WeakPolarHBondContact OD1-CB 3.32Å; D278-S280 PolarHBondContact OD1-N 3.16Å; D278-S280 PolarHBondContact OD1-OG 3.48Å; D278-W285 WeakPolarHBondContact O-CA 3.19Å; D278-R286 HydrophobicContact CB-CB 3.8Å; D278-R286 PolarHBondContact N-O 2.76Å; D278-R286 VanDerWaalsContact N-O 3.13Å; D278-R286 PolarHBondContact O-N 3.17Å |
| 279 | D | 91.3 | Very high | 92.1 | Very high | 94 Ų | 94 | 73.6 Ų | 73.6 | 50% | 0.503 | 37% | 0.373 | S | S | . | . | trans | -111.7 | 14 | 176 | 57.3 | -12.1 | 0 | 0 | 0 | 112.9 | V276 N281 W285 | V276-D279 HydrophobicContact CG1-CB 4.21Å; D279-N281 PolarHBondContact O-N 2.84Å; D279-W285 HydrophobicContact CB-CD2 3.85Å; D279-W285 HydrophobicContact CB-CE3 4.34Å; D279-W285 HydrophobicContact CB-CG 4.26Å; D279-W285 HydrophobicContact CB-CH2 4.36Å; D279-W285 HydrophobicContact CB-CZ2 3.85Å | ||
| 280 | S | 89.8 | Confident | 91.9 | Very high | 107 Ų | 107 | 74.1 Ų | 74.1 | 75% | 0.748 | 39% | 0.388 | S | S | * | . | trans | -65.8 | -8.9 | -175.1 | -51 | 0 | 0 | 0 | 0 | 115.6 | D278 | D278-S280 WeakPolarHBondContact OD1-CB 3.32Å; D278-S280 PolarHBondContact OD1-N 3.16Å; D278-S280 PolarHBondContact OD1-OG 3.48Å | ||
| 281 | N | 88 | Confident | 91.6 | Very high | 77 Ų | 77 | 80.7 Ų | 80.7 | 41% | 0.412 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -123.2 | 127.1 | -179 | 174.8 | -17.7 | 0 | 0 | 0 | 109.1 | D279 E283 W284 W285 | D279-N281 PolarHBondContact O-N 2.84Å; N281-E283 VanDerWaalsContact C-N 3.28Å; N281-E283 PolarHBondContact O-N 3.23Å; N281-E283 PolarHBondContact OD1-N 3.16Å; N281-W284 WeakPolarHBondContact CB-O 3.34Å; N281-W284 PolarHBondContact OD1-N 3.48Å; N281-W285 PolarHBondContact O-NE1 2.91Å; N281-W285 VanDerWaalsContact O-NE1 3.14Å |
| 282 | E | 87.3 | Confident | 91.6 | Very high | 182 Ų | 182 | 86.1 Ų | 86.1 | 85% | 0.85 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -70.5 | -21 | -175.5 | -60.4 | -169.8 | 172.1 | 0 | 0 | 114.1 | P298 | E282-P298 WeakPolarHBondContact O-CG 3.39Š|
| 283 | E | 88.8 | Confident | 91.5 | Very high | 144 Ų | 144 | 85.6 Ų | 85.6 | 67% | 0.673 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -96.8 | -32.8 | -174.9 | -59.8 | -175.9 | 139.2 | 0 | 0 | 112.5 | N281 P298 | N281-E283 VanDerWaalsContact C-N 3.28Å; N281-E283 PolarHBondContact O-N 3.23Å; N281-E283 PolarHBondContact OD1-N 3.16Å; E283-P298 WeakPolarHBondContact O-CD 3.26Å |
| 284 | W | 91.6 | Very high | 91.6 | Very high | 104 Ų | 104 | 81.2 Ų | 81.2 | 39% | 0.394 | 42% | 0.418 | S | S | . | . | trans | -139.3 | 111.7 | -174.1 | -69.2 | 94.9 | 0 | 0 | 0 | 111.9 | F258 D265 N281 F295 P297 | F258-W284 HydrophobicContact CZ-CH2 4.23Å; F258-W284 AromaticContact CZ-CZ3 3.89Å; F258-W284 HydrophobicContact CZ-CZ3 3.89Å; D265-W284 WeakPolarHBondContact OD1-CZ3 3.44Å; N281-W284 WeakPolarHBondContact CB-O 3.34Å; N281-W284 PolarHBondContact OD1-N 3.48Å; W284-F295 HydrophobicContact CE3-CB 4Å; W284-P297 HydrophobicContact CE3-CG 4.46Å; W284-P297 HydrophobicContact CH2-CG 4.39Å; W284-P297 HydrophobicContact CZ3-CG 4.2Å | ||
| 285 | W | 94.5 | Very high | 91.6 | Very high | 52 Ų | 52 | 84.6 Ų | 84.6 | 20% | 0.197 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 145.4 | 174.6 | -74.8 | 7.7 | 0 | 0 | 0 | 110.8 | F252 V276 D278 D279 N281 F295 F296 P298 I301 | F252-W285 HydrophobicContact CE1-CZ3 4.04Å; F252-W285 HydrophobicContact CZ-CZ3 4.24Å; V276-W285 HydrophobicContact CG1-CE3 4.05Å; V276-W285 HydrophobicContact CG2-CE3 3.86Å; V276-W285 HydrophobicContact CG2-CZ3 4.26Å; D278-W285 WeakPolarHBondContact O-CA 3.19Å; D279-W285 HydrophobicContact CB-CD2 3.85Å; D279-W285 HydrophobicContact CB-CE3 4.34Å; D279-W285 HydrophobicContact CB-CG 4.26Å; D279-W285 HydrophobicContact CB-CH2 4.36Å; D279-W285 HydrophobicContact CB-CZ2 3.85Å; N281-W285 PolarHBondContact O-NE1 2.91Å; N281-W285 VanDerWaalsContact O-NE1 3.14Å; W285-F295 CarbonylContact O-C 3.59Å; W285-F295 VanDerWaalsContact O-CA 3.28Å; W285-F295 WeakPolarHBondContact O-CA 3.48Å; W285-F296 HydrophobicContact CB-CE1 4.47Å; W285-F296 HydrophobicContact CB-CE2 4.29Å; W285-F296 HydrophobicContact CB-CZ 4.07Å; W285-F296 PolarHBondContact N-O 2.94Å; W285-F296 WeakPolarHBondContact O-CD1 3.34Å; W285-F296 PolarHBondContact O-N 2.98Å; W285-P298 HydrophobicContact CD2-CB 3.66Å; W285-P298 HydrophobicContact CD2-CG 4.36Å; W285-P298 HydrophobicContact CE3-CB 4.02Å; W285-P298 HydrophobicContact CG-CB 4.01Å; W285-P298 HydrophobicContact CG-CG 4.32Å; W285-P298 HydrophobicContact CH2-CB 4.41Å; W285-P298 HydrophobicContact CZ2-CB 4.1Å; W285-P298 HydrophobicContact CZ3-CB 4.38Å; W285-I301 HydrophobicContact CE3-CD1 3.83Å; W285-I301 HydrophobicContact CZ3-CD1 3.94Å |
| 286 | R | 92.7 | Very high | 91.7 | Very high | 100 Ų | 100 | 80.2 Ų | 80.2 | 38% | 0.377 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 132.2 | 173 | -148.7 | -179.6 | -170.2 | -167.8 | 3 | 110 | I277 D278 V293 G294 F295 | I277-R286 PolarHBondContact N-O 3.5Å; D278-R286 HydrophobicContact CB-CB 3.8Å; D278-R286 PolarHBondContact N-O 2.76Å; D278-R286 VanDerWaalsContact N-O 3.13Å; D278-R286 PolarHBondContact O-N 3.17Å; R286-V293 HydrophobicContact CG-CG1 4.37Å; R286-G294 WeakPolarHBondContact CA-O 3.42Å; R286-G294 WeakPolarHBondContact CG-O 3.33Å; R286-F295 HydrophobicContact CB-CD1 3.88Å; R286-F295 HydrophobicContact CB-CE1 3.75Å; R286-F295 HydrophobicContact CG-CD1 3.89Å; R286-F295 HydrophobicContact CG-CE1 3.68Å; R286-F295 HydrophobicContact CG-CE2 4.47Å; R286-F295 HydrophobicContact CG-CG 4.38Å; R286-F295 HydrophobicContact CG-CZ 4Å |
| 287 | G | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 178 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T275 V293 G294 | T275-G287 CarbonylContact O-C 3.51Å; T275-G287 WeakPolarHBondContact O-CA 3.39Å; G287-V293 WeakPolarHBondContact O-CA 3.12Å; G287-G294 PolarHBondContact N-O 3.26Å; G287-G294 PolarHBondContact O-N 2.98Å; G287-G294 VanDerWaalsContact O-N 3.08Å |
| 288 | K | 93.6 | Very high | 91.7 | Very high | 90 Ų | 90 | 76.4 Ų | 76.4 | 39% | 0.391 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 138.1 | -173.3 | 179.5 | 168.4 | -178.9 | 171.6 | 0 | 111.8 | T275 I277 G290 K292 V293 | T275-K288 PolarHBondContact N-O 3.24Å; T275-K288 PolarHBondContact O-N 3.3Å; I277-K288 HydrophobicContact CD1-CB 3.63Å; I277-K288 HydrophobicContact CD1-CD 4.21Å; I277-K288 HydrophobicContact CG1-CB 4.33Å; K288-G290 WeakPolarHBondContact CE-O 3.32Å; K288-K292 CarbonylContact C-O 3.5Å; K288-K292 VanDerWaalsContact CA-O 3.23Å; K288-K292 WeakPolarHBondContact CA-O 3.35Å; K288-K292 WeakPolarHBondContact CG-O 3.43Å; K288-V293 HydrophobicContact CB-CG2 4.04Å; K288-V293 HydrophobicContact CD-CG2 3.87Å; K288-V293 HydrophobicContact CG-CG2 3.88Å |
| 289 | I | 93.3 | Very high | 91.8 | Very high | 23 Ų | 23 | 78.5 Ų | 78.5 | 12% | 0.118 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 110 | 177.7 | -60.6 | 167.9 | 0 | 0 | 0 | 107.2 | L266 F268 E272 I274 E291 K292 | L266-I289 HydrophobicContact CD1-CD1 4.21Å; L266-I289 HydrophobicContact CD1-CG1 4.39Å; L266-I289 HydrophobicContact CD2-CD1 3.75Å; L266-I289 HydrophobicContact CD2-CG1 4.04Å; L266-I289 HydrophobicContact CG-CD1 3.85Å; L266-I289 HydrophobicContact CG-CG1 4.41Å; F268-I289 HydrophobicContact CB-CD1 3.48Å; F268-I289 VanDerWaalsContact CB-CD1 3.48Å; F268-I289 HydrophobicContact CD1-CD1 3.85Å; F268-I289 HydrophobicContact CG-CD1 4.03Å; E272-I289 HydrophobicContact CG-CD1 4.02Å; E272-I289 HydrophobicContact CG-CG1 4.48Å; E272-I289 HydrophobicContact CG-CG2 3.75Å; E272-I289 WeakPolarHBondContact OE1-CG2 3.47Å; I274-I289 HydrophobicContact CB-CG1 4.31Å; I274-I289 HydrophobicContact CD1-CD1 3.86Å; I274-I289 HydrophobicContact CG1-CD1 3.74Å; I274-I289 HydrophobicContact CG1-CG1 3.91Å; I274-I289 HydrophobicContact CG2-CD1 4.49Å; I274-I289 HydrophobicContact CG2-CG1 4.18Å; I289-E291 PolarHBondContact O-N 2.96Å; I289-E291 VanDerWaalsContact O-N 3.1Å; I289-K292 PolarHBondContact N-O 3.26Å; I289-K292 PolarHBondContact O-N 3.01Å |
| 290 | G | 88.8 | Confident | 91.8 | Very high | 66 Ų | 66 | 76.9 Ų | 76.9 | 68% | 0.68 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | -114.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | K288 | K288-G290 WeakPolarHBondContact CE-O 3.32Š|
| 291 | E | 89.8 | Confident | 92 | Very high | 188 Ų | 188 | 72.5 Ų | 72.5 | 88% | 0.879 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -20.1 | 175.8 | -60.9 | -174.7 | 143.9 | 0 | 0 | 113.7 | I289 | I289-E291 PolarHBondContact O-N 2.96Å; I289-E291 VanDerWaalsContact O-N 3.1Å |
| 292 | K | 92.1 | Very high | 92.2 | Very high | 128 Ų | 128 | 69.2 Ų | 69.2 | 56% | 0.557 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 134.5 | -178.3 | -63.8 | -179.2 | 179.8 | 178.9 | 0 | 110.4 | L266 K288 I289 | L266-K292 HydrophobicContact CD1-CB 4Å; K288-K292 CarbonylContact C-O 3.5Å; K288-K292 VanDerWaalsContact CA-O 3.23Å; K288-K292 WeakPolarHBondContact CA-O 3.35Å; K288-K292 WeakPolarHBondContact CG-O 3.43Å; I289-K292 PolarHBondContact N-O 3.26Å; I289-K292 PolarHBondContact O-N 3.01Å |
| 293 | V | 93.1 | Very high | 92.4 | Very high | 63 Ų | 63 | 66.1 Ų | 66.1 | 38% | 0.382 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 137.6 | 174.4 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | I277 R286 G287 K288 | I277-V293 HydrophobicContact CD1-CG1 4.36Å; R286-V293 HydrophobicContact CG-CG1 4.37Å; G287-V293 WeakPolarHBondContact O-CA 3.12Å; K288-V293 HydrophobicContact CB-CG2 4.04Å; K288-V293 HydrophobicContact CD-CG2 3.87Å; K288-V293 HydrophobicContact CG-CG2 3.88Å |
| 294 | G | 94.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.5 | -178.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D264 R286 G287 | D264-G294 CarbonylContact O-C 3.58Å; D264-G294 WeakPolarHBondContact O-CA 3.26Å; R286-G294 WeakPolarHBondContact CA-O 3.42Å; R286-G294 WeakPolarHBondContact CG-O 3.33Å; G287-G294 PolarHBondContact N-O 3.26Å; G287-G294 PolarHBondContact O-N 2.98Å; G287-G294 VanDerWaalsContact O-N 3.08Å |
| 295 | F | 94 | Very high | 92.5 | Very high | 71 Ų | 71 | 60.7 Ų | 60.7 | 31% | 0.311 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 153 | 179.1 | -62.3 | -80.8 | 0 | 0 | 0 | 112.2 | D264 L266 W284 W285 R286 | D264-F295 HydrophobicContact CB-CD2 4.21Å; D264-F295 HydrophobicContact CB-CE2 4.49Å; D264-F295 PolarHBondContact O-N 3.21Å; L266-F295 PolarHBondContact N-O 3.38Å; W284-F295 HydrophobicContact CE3-CB 4Å; W285-F295 CarbonylContact O-C 3.59Å; W285-F295 VanDerWaalsContact O-CA 3.28Å; W285-F295 WeakPolarHBondContact O-CA 3.48Å; R286-F295 HydrophobicContact CB-CD1 3.88Å; R286-F295 HydrophobicContact CB-CE1 3.75Å; R286-F295 HydrophobicContact CG-CD1 3.89Å; R286-F295 HydrophobicContact CG-CE1 3.68Å; R286-F295 HydrophobicContact CG-CE2 4.47Å; R286-F295 HydrophobicContact CG-CG 4.38Å; R286-F295 HydrophobicContact CG-CZ 4Å |
| 296 | F | 94.7 | Very high | 92 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 160.8 | 171.9 | 63.2 | -86.3 | 0 | 0 | 0 | 110.9 | F258 L266 F268 I274 V276 W285 I301 | F258-F296 HydrophobicContact CD1-CB 3.7Å; F258-F296 HydrophobicContact CE1-CB 3.81Å; F258-F296 HydrophobicContact CG-CB 4.48Å; L266-F296 HydrophobicContact CB-CD1 4.2Å; L266-F296 HydrophobicContact CD2-CD1 3.7Å; L266-F296 HydrophobicContact CD2-CE1 3.93Å; F268-F296 HydrophobicContact CE1-CB 3.64Å; F268-F296 HydrophobicContact CE1-CD1 4.03Å; F268-F296 HydrophobicContact CE1-CD2 4.02Å; F268-F296 AromaticContact CE1-CG 3.6Å; F268-F296 HydrophobicContact CE1-CG 3.6Å; F268-F296 HydrophobicContact CZ-CB 4.03Å; F268-F296 AromaticContact CZ-CD2 3.99Å; F268-F296 HydrophobicContact CZ-CD2 3.99Å; F268-F296 HydrophobicContact CZ-CG 4.02Å; I274-F296 HydrophobicContact CG2-CE1 4.08Å; I274-F296 HydrophobicContact CG2-CZ 4.16Å; V276-F296 HydrophobicContact CG2-CZ 4.34Å; W285-F296 HydrophobicContact CB-CE1 4.47Å; W285-F296 HydrophobicContact CB-CE2 4.29Å; W285-F296 HydrophobicContact CB-CZ 4.07Å; W285-F296 PolarHBondContact N-O 2.94Å; W285-F296 WeakPolarHBondContact O-CD1 3.34Å; W285-F296 PolarHBondContact O-N 2.98Å; F296-I301 HydrophobicContact CD2-CG2 4.14Å; F296-I301 HydrophobicContact CE2-CB 4.4Å; F296-I301 HydrophobicContact CE2-CD1 3.63Å; F296-I301 HydrophobicContact CE2-CG1 3.91Å; F296-I301 HydrophobicContact CE2-CG2 3.59Å; F296-I301 HydrophobicContact CZ-CD1 3.91Å; F296-I301 HydrophobicContact CZ-CG2 4.27Å |
| 297 | P | 92.6 | Very high | 91.6 | Very high | 25 Ų | 25 | 62.4 Ų | 62.4 | 16% | 0.162 | 34% | 0.335 | C | S | . | . | trans | -76.6 | 132 | 179.1 | -14.4 | 30.1 | 0 | 0 | 0 | 112.1 | F258 W284 N299 F300 | F258-P297 HydrophobicContact CE2-CG 4.39Å; W284-P297 HydrophobicContact CE3-CG 4.46Å; W284-P297 HydrophobicContact CH2-CG 4.39Å; W284-P297 HydrophobicContact CZ3-CG 4.2Å; P297-N299 PolarHBondContact O-N 3.09Å; P297-F300 HydrophobicContact CB-CD2 4.02Å; P297-F300 HydrophobicContact CB-CE2 4.44Å; P297-F300 HydrophobicContact CG-CD2 4.15Å; P297-F300 HydrophobicContact CG-CE2 4.29Å; P297-F300 WeakPolarHBondContact O-CB 3.34Å; P297-F300 PolarHBondContact O-N 3.07Å | ||
| 298 | P | 91.6 | Very high | 91.4 | Very high | 23 Ų | 23 | 63.9 Ų | 63.9 | 15% | 0.149 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -59.6 | -24.2 | -177.2 | 19.7 | -30.5 | 0 | 0 | 0 | 114.1 | E282 E283 W285 F300 I301 | E282-P298 WeakPolarHBondContact O-CG 3.39Å; E283-P298 WeakPolarHBondContact O-CD 3.26Å; W285-P298 HydrophobicContact CD2-CB 3.66Å; W285-P298 HydrophobicContact CD2-CG 4.36Å; W285-P298 HydrophobicContact CE3-CB 4.02Å; W285-P298 HydrophobicContact CG-CB 4.01Å; W285-P298 HydrophobicContact CG-CG 4.32Å; W285-P298 HydrophobicContact CH2-CB 4.41Å; W285-P298 HydrophobicContact CZ2-CB 4.1Å; W285-P298 HydrophobicContact CZ3-CB 4.38Å; P298-F300 PolarHBondContact O-N 2.76Å; P298-F300 VanDerWaalsContact O-N 3.1Å; P298-I301 VanDerWaalsContact O-CG1 3.25Å; P298-I301 WeakPolarHBondContact O-CG1 3.29Å; P298-I301 PolarHBondContact O-N 2.94Å |
| 299 | N | 92.1 | Very high | 91.3 | Very high | 110 Ų | 110 | 64.5 Ų | 64.5 | 59% | 0.588 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -65 | -6.9 | 174.9 | -77 | -74.6 | 0 | 0 | 0 | 115.1 | P297 | P297-N299 PolarHBondContact O-N 3.09Š|
| 300 | F | 92.4 | Very high | 91.4 | Very high | 60 Ų | 60 | 63.4 Ų | 63.4 | 26% | 0.263 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -94.6 | -6.1 | 177.9 | -82.2 | -117.1 | 0 | 0 | 0 | 113.9 | L255 Y256 F258 F268 P297 P298 | L255-F300 PolarHBondContact N-O 2.88Å; Y256-F300 HydrophobicContact CD2-CD1 4.41Å; Y256-F300 HydrophobicContact CD2-CG 4.48Å; F258-F300 HydrophobicContact CB-CD1 3.88Å; F258-F300 HydrophobicContact CB-CE1 4.27Å; F258-F300 HydrophobicContact CD2-CD1 4.39Å; F258-F300 HydrophobicContact CD2-CE1 4.21Å; F268-F300 HydrophobicContact CE2-CB 4.34Å; F268-F300 HydrophobicContact CZ-CB 4.16Å; P297-F300 HydrophobicContact CB-CD2 4.02Å; P297-F300 HydrophobicContact CB-CE2 4.44Å; P297-F300 HydrophobicContact CG-CD2 4.15Å; P297-F300 HydrophobicContact CG-CE2 4.29Å; P297-F300 WeakPolarHBondContact O-CB 3.34Å; P297-F300 PolarHBondContact O-N 3.07Å; P298-F300 PolarHBondContact O-N 2.76Å; P298-F300 VanDerWaalsContact O-N 3.1Å |
| 301 | I | 93.3 | Very high | 91.7 | Very high | 16 Ų | 16 | 60.9 Ų | 60.9 | 8% | 0.082 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 164 | -177 | 60.2 | 165.2 | 0 | 0 | 0 | 112.9 | F252 V253 F268 I274 V276 W285 F296 P298 | F252-I301 HydrophobicContact CB-CB 4.41Å; F252-I301 HydrophobicContact CB-CD1 3.94Å; F252-I301 HydrophobicContact CD1-CD1 3.6Å; F252-I301 HydrophobicContact CD1-CG1 4.39Å; F252-I301 HydrophobicContact CE1-CD1 4.23Å; F252-I301 HydrophobicContact CG-CD1 3.89Å; V253-I301 CarbonylContact O-C 3.53Å; V253-I301 VanDerWaalsContact O-CA 3.25Å; V253-I301 WeakPolarHBondContact O-CA 3.47Å; F268-I301 HydrophobicContact CZ-CG2 4.36Å; I274-I301 HydrophobicContact CD1-CG2 3.84Å; V276-I301 HydrophobicContact CG2-CD1 4.03Å; W285-I301 HydrophobicContact CE3-CD1 3.83Å; W285-I301 HydrophobicContact CZ3-CD1 3.94Å; F296-I301 HydrophobicContact CD2-CG2 4.14Å; F296-I301 HydrophobicContact CE2-CB 4.4Å; F296-I301 HydrophobicContact CE2-CD1 3.63Å; F296-I301 HydrophobicContact CE2-CG1 3.91Å; F296-I301 HydrophobicContact CE2-CG2 3.59Å; F296-I301 HydrophobicContact CZ-CD1 3.91Å; F296-I301 HydrophobicContact CZ-CG2 4.27Å; P298-I301 VanDerWaalsContact O-CG1 3.25Å; P298-I301 WeakPolarHBondContact O-CG1 3.29Å; P298-I301 PolarHBondContact O-N 2.94Å |
| 302 | I | 93.1 | Very high | 92 | Very high | 7 Ų | 7 | 55.7 Ų | 55.7 | 4% | 0.036 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 135.7 | 172.9 | -166.8 | 161.3 | 0 | 0 | 0 | 110.8 | F252 V253 L255 V335 Y348 | F252-I302 CarbonylContact C-O 3.53Å; F252-I302 VanDerWaalsContact CA-O 3.26Å; F252-I302 WeakPolarHBondContact CA-O 3.46Å; V253-I302 HydrophobicContact CB-CG2 4.2Å; V253-I302 PolarHBondContact N-O 3.4Å; V253-I302 PolarHBondContact O-N 3.47Å; L255-I302 HydrophobicContact CD1-CB 4.06Å; L255-I302 HydrophobicContact CD2-CB 3.83Å; L255-I302 HydrophobicContact CD2-CD1 4.1Å; L255-I302 HydrophobicContact CD2-CG2 3.68Å; L255-I302 HydrophobicContact CG-CB 3.87Å; L255-I302 HydrophobicContact CG-CG2 4.05Å; I302-V335 HydrophobicContact CB-CG2 4.48Å; I302-V335 HydrophobicContact CD1-CB 4.21Å; I302-V335 HydrophobicContact CD1-CG2 3.72Å; I302-V335 HydrophobicContact CG1-CG2 3.97Å; I302-V335 HydrophobicContact CG2-CG2 3.69Å; I302-Y348 HydrophobicContact CD1-CD1 3.71Å; I302-Y348 HydrophobicContact CD1-CE1 4.1Å; I302-Y348 HydrophobicContact CD1-CG 4.41Å; I302-Y348 HydrophobicContact CG1-CD1 4.4Å; I302-Y348 HydrophobicContact CG1-CE1 4.47Å |
| 303 | R | 91.6 | Very high | 92.2 | Very high | 118 Ų | 118 | 49.6 Ų | 49.6 | 45% | 0.445 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 124.1 | 174.4 | -176.2 | 168 | 165.1 | 179.6 | -6.2 | 110.2 | H250 F252 | H250-R303 HydrophobicContact CB-CG 4.43Å; H250-R303 PolarHBondContact CD2-NE 3.02Å; H250-R303 PolarHBondContact CD2-NH2 3.32Å; H250-R303 PolarHBondContact NE2-NH2 3.4Å; F252-R303 HydrophobicContact CD1-CB 3.79Å; F252-R303 HydrophobicContact CD1-CG 4.36Å; F252-R303 HydrophobicContact CE1-CB 3.62Å; F252-R303 HydrophobicContact CE1-CG 3.96Å; F252-R303 HydrophobicContact CZ-CB 4.46Å; F252-R303 HydrophobicContact CZ-CG 4.33Å |
| 304 | V | 92.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 135.2 | 176.4 | -165.4 | 0 | 0 | 0 | 0 | 108.3 | H250 Y251 V253 E308 V310 V335 | H250-V304 VanDerWaalsContact CA-O 3.3Å; H250-V304 WeakPolarHBondContact CA-O 3.33Å; Y251-V304 HydrophobicContact CD1-CB 4.27Å; Y251-V304 HydrophobicContact CD2-CB 4.26Å; Y251-V304 HydrophobicContact CD2-CG2 4.34Å; Y251-V304 HydrophobicContact CE1-CB 3.94Å; Y251-V304 HydrophobicContact CE1-CG1 3.86Å; Y251-V304 HydrophobicContact CE2-CB 3.95Å; Y251-V304 HydrophobicContact CE2-CG1 4.24Å; Y251-V304 HydrophobicContact CE2-CG2 3.97Å; Y251-V304 HydrophobicContact CG-CB 4.42Å; Y251-V304 PolarHBondContact N-O 3.23Å; Y251-V304 VanDerWaalsContact N-O 3.15Å; Y251-V304 PolarHBondContact O-N 2.84Å; V253-V304 HydrophobicContact CB-CG2 4.33Å; V253-V304 HydrophobicContact CG2-CG2 3.85Å; V304-E308 HydrophobicContact CG1-CB 3.89Å; V304-E308 VanDerWaalsContact CG1-O 3.31Å; V304-E308 WeakPolarHBondContact CG1-O 3.28Å; V304-V310 HydrophobicContact CB-CG2 4.39Å; V304-V310 HydrophobicContact CG1-CG2 3.73Å; V304-V310 HydrophobicContact CG2-CG2 3.76Å; V304-V335 HydrophobicContact CG1-CG1 4.26Å; V304-V335 HydrophobicContact CG2-CG2 3.88Å |
| 305 | R | 89.3 | Confident | 92.3 | Very high | 134 Ų | 134 | 55.4 Ų | 55.4 | 51% | 0.506 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 158.8 | 175.5 | -51.5 | -175.1 | 165.9 | 133.4 | -8.8 | 111.2 | S249 G307 E308 | S249-R305 CarbonylContact O-C 3.55Å; S249-R305 WeakPolarHBondContact O-CA 3.21Å; R305-G307 PolarHBondContact O-N 2.64Å; R305-E308 HydrophobicContact CB-CG 3.99Å; R305-E308 PolarHBondContact N-OE2 3.1Å; R305-E308 IonicContact NH1-OE1 2.91Å; R305-E308 WeakPolarHBondContact O-CB 3.1Å; R305-E308 PolarHBondContact O-N 2.93Å |
| 306 | T | 83.6 | Confident | 92.4 | Very high | 111 Ų | 111 | 55.8 Ų | 55.8 | 68% | 0.681 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | 126.6 | 167.1 | -50 | 0 | 0 | 0 | 0 | 110.6 | S249 | S249-T306 VanDerWaalsContact CA-OG1 3.24Å; S249-T306 WeakPolarHBondContact CA-OG1 3.46Å; S249-T306 WeakPolarHBondContact CB-OG1 3.34Å; S249-T306 PolarHBondContact O-N 2.88Å; S249-T306 PolarHBondContact O-OG1 3.04Å; S249-T306 VanDerWaalsContact O-OG1 3.07Å |
| 307 | G | 84.2 | Confident | 92.4 | Very high | 77 Ų | 77 | 57.9 Ų | 57.9 | 79% | 0.794 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.1 | -10.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R305 | R305-G307 PolarHBondContact O-N 2.64Š|
| 308 | E | 90.8 | Very high | 92.5 | Very high | 31 Ų | 31 | 62.2 Ų | 62.2 | 15% | 0.145 | 32% | 0.318 | C | S | . | . | trans | -88.8 | 125.1 | 172.6 | -59 | 177.8 | 160.9 | 0 | 0 | 109.9 | V304 R305 V335 K337 | V304-E308 HydrophobicContact CG1-CB 3.89Å; V304-E308 VanDerWaalsContact CG1-O 3.31Å; V304-E308 WeakPolarHBondContact CG1-O 3.28Å; R305-E308 HydrophobicContact CB-CG 3.99Å; R305-E308 PolarHBondContact N-OE2 3.1Å; R305-E308 IonicContact NH1-OE1 2.91Å; R305-E308 WeakPolarHBondContact O-CB 3.1Å; R305-E308 PolarHBondContact O-N 2.93Å; E308-V335 HydrophobicContact CB-CG1 3.85Å; E308-K337 HydrophobicContact CG-CD 4.41Å; E308-K337 WeakPolarHBondContact OE1-CD 3.29Å; E308-K337 IonicContact OE1-NZ 3.27Å; E308-K337 PolarHBondContact OE1-NZ 3.17Å; E308-K337 IonicContact OE2-NZ 2.63Å; E308-K337 PolarHBondContact OE2-NZ 3.04Å | ||
| 309 | R | 91.7 | Very high | 92.5 | Very high | 102 Ų | 102 | 61.5 Ų | 61.5 | 39% | 0.385 | 32% | 0.315 | S | S | . | . | trans | -91.9 | 153.8 | -179.8 | -48.1 | -159.1 | -54.3 | -98.7 | 8.9 | 110.8 | Q336 E363 | R309-Q336 HydrophobicContact CB-CB 4.28Å; R309-Q336 WeakPolarHBondContact O-CB 3.46Å; R309-Q336 PolarHBondContact O-N 3.14Å; R309-E363 HydrophobicContact CB-CG 4.43Å; R309-E363 WeakPolarHBondContact CD-OE1 3.5Å; R309-E363 VanDerWaalsContact CD-OE2 3.26Å; R309-E363 WeakPolarHBondContact CD-OE2 3.37Å; R309-E363 IonicContact CZ-OE2 3.98Å; R309-E363 IonicContact NE-OE1 2.63Å; R309-E363 IonicContact NE-OE2 2.73Å; R309-E363 PolarHBondContact NE-OE2 2.91Å | ||
| 310 | V | 94.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132.5 | -175.3 | -166.9 | 0 | 0 | 0 | 0 | 109.2 | Y251 V253 V304 I333 V335 E363 I364 | Y251-V310 HydrophobicContact CE2-CG2 4.48Å; V253-V310 HydrophobicContact CB-CG1 4.47Å; V253-V310 HydrophobicContact CG1-CG1 4.15Å; V253-V310 HydrophobicContact CG2-CG1 4.4Å; V253-V310 HydrophobicContact CG2-CG2 4.25Å; V304-V310 HydrophobicContact CB-CG2 4.39Å; V304-V310 HydrophobicContact CG1-CG2 3.73Å; V304-V310 HydrophobicContact CG2-CG2 3.76Å; V310-I333 HydrophobicContact CG1-CG2 3.76Å; V310-V335 HydrophobicContact CG1-CG2 4.43Å; V310-V335 HydrophobicContact CG2-CG2 4.38Å; V310-E363 WeakPolarHBondContact O-CA 3.21Å; V310-E363 WeakPolarHBondContact O-CG 3.46Å; V310-I364 HydrophobicContact CB-CG1 4.11Å; V310-I364 HydrophobicContact CG1-CD1 4.07Å; V310-I364 HydrophobicContact CG1-CG1 3.98Å; V310-I364 WeakPolarHBondContact O-CG1 3.4Å; V310-I364 PolarHBondContact O-N 2.8Å |
| 311 | H | 95.4 | Very high | 92.4 | Very high | 13 Ų | 13 | 67.5 Ų | 67.5 | 6% | 0.06 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 141 | -173 | -61.2 | -83 | 0 | 0 | 0 | 112.1 | I333 V334 Q336 L361 E362 E363 | H311-I333 WeakPolarHBondContact O-CA 3.44Å; H311-V334 HydrophobicContact CB-CG2 4.17Å; H311-V334 PolarHBondContact N-O 3.06Å; H311-V334 PolarHBondContact O-N 3.41Å; H311-Q336 PolarHBondContact NE2-OE1 3.35Å; H311-L361 HydrophobicContact CB-CB 4.03Å; H311-L361 HydrophobicContact CB-CD1 4.39Å; H311-L361 HydrophobicContact CB-CD2 3.92Å; H311-L361 HydrophobicContact CB-CG 4.32Å; H311-E362 CarbonylContact C-O 3.37Å; H311-E362 WeakPolarHBondContact CA-O 3.37Å; H311-E363 IonicContact CE1-OE2 3.19Å; H311-E363 PolarHBondContact CE1-OE2 3.42Å; H311-E363 IonicContact NE2-OE2 2.73Å |
| 312 | R | 95.8 | Very high | 92.1 | Very high | 79 Ų | 79 | 72.5 Ų | 72.5 | 30% | 0.298 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 134.8 | 163.4 | 173.1 | 169.4 | 56.4 | -128.1 | 4.5 | 109 | T314 I333 L361 E362 I364 | R312-T314 PolarHBondContact O-N 3.18Å; R312-I333 HydrophobicContact CB-CD1 4Å; R312-I333 HydrophobicContact CG-CD1 4.33Å; R312-L361 WeakPolarHBondContact O-CA 3.45Å; R312-E362 IonicContact CZ-OE1 3.21Å; R312-E362 IonicContact CZ-OE2 3.84Å; R312-E362 VanDerWaalsContact CZ-OE2 3.23Å; R312-E362 PolarHBondContact N-O 3.33Å; R312-E362 IonicContact NE-OE2 2.74Å; R312-E362 PolarHBondContact NE-OE2 2.92Å; R312-E362 IonicContact NH2-OE1 3.73Å; R312-E362 PolarHBondContact NH2-OE1 3.47Å; R312-E362 IonicContact NH2-OE2 2.79Å; R312-E362 PolarHBondContact NH2-OE2 3.28Å; R312-E362 PolarHBondContact O-N 3.1Å; R312-I364 HydrophobicContact CB-CG2 4.17Å |
| 313 | V | 96.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 116.6 | 176 | 176.8 | 0 | 0 | 0 | 0 | 109.7 | R315 L328 K329 K330 D331 Q332 F356 F360 L361 | V313-R315 WeakPolarHBondContact CG1-O 3.33Å; V313-L328 HydrophobicContact CG1-CB 4.34Å; V313-L328 HydrophobicContact CG2-CB 4.04Å; V313-L328 HydrophobicContact CG2-CD1 3.63Å; V313-L328 HydrophobicContact CG2-CG 4.48Å; V313-K329 WeakPolarHBondContact CB-O 3.49Å; V313-K329 VanDerWaalsContact CG1-O 3.26Å; V313-K329 WeakPolarHBondContact CG1-O 3.4Å; V313-K330 CarbonylContact O-C 3.54Å; V313-K330 WeakPolarHBondContact O-CA 3.45Å; V313-D331 PolarHBondContact O-N 2.64Å; V313-Q332 HydrophobicContact CG2-CB 4.33Å; V313-Q332 WeakPolarHBondContact CG2-O 3.47Å; V313-Q332 PolarHBondContact N-O 2.86Å; V313-F356 HydrophobicContact CG1-CE1 3.96Å; V313-F356 HydrophobicContact CG1-CZ 3.66Å; V313-F356 HydrophobicContact CG2-CE1 4.19Å; V313-F356 HydrophobicContact CG2-CZ 4.32Å; V313-F360 CarbonylContact C-O 3.59Å; V313-F360 WeakPolarHBondContact CA-O 3.44Å; V313-L361 HydrophobicContact CG2-CD2 3.87Å |
| 314 | T | 95.9 | Very high | 91.9 | Very high | 43 Ų | 43 | 73.1 Ų | 73.1 | 26% | 0.264 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -80.9 | -29.7 | -176.7 | 63 | 0 | 0 | 0 | 0 | 113.1 | R312 K330 F360 E362 | R312-T314 PolarHBondContact O-N 3.18Å; T314-K330 WeakPolarHBondContact O-CD 3.14Å; T314-K330 WeakPolarHBondContact O-CG 3.47Å; T314-F360 PolarHBondContact N-O 3.41Å; T314-F360 WeakPolarHBondContact OG1-CA 3.23Å; T314-F360 PolarHBondContact OG1-O 3.45Å; T314-E362 HydrophobicContact CG2-CB 3.48Å; T314-E362 VanDerWaalsContact CG2-CB 3.48Å; T314-E362 HydrophobicContact CG2-CG 4.5Å |
| 315 | R | 94.4 | Very high | 92 | Very high | 142 Ų | 142 | 74.2 Ų | 74.2 | 54% | 0.536 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -138.6 | 137.2 | -178.9 | -74.8 | 179.4 | -78.7 | -164.7 | 2 | 110.9 | V313 F317 D359 F360 | V313-R315 WeakPolarHBondContact CG1-O 3.33Å; R315-F317 PolarHBondContact O-N 3.43Å; R315-D359 PolarHBondContact NH2-O 2.81Å; R315-F360 HydrophobicContact CB-CB 4.41Å; R315-F360 HydrophobicContact CB-CD1 3.92Å; R315-F360 HydrophobicContact CB-CG 4.2Å; R315-F360 VanDerWaalsContact NE-CD1 3.33Å |
| 316 | S | 94.9 | Very high | 92.2 | Very high | 80 Ų | 80 | 68.4 Ų | 68.4 | 56% | 0.559 | 36% | 0.36 | S | S | * | . | trans | -65.5 | 130 | 174.4 | -59.8 | 0 | 0 | 0 | 0 | 110.3 | L328 K330 | S316-L328 WeakPolarHBondContact CA-O 3.18Å; S316-K330 PolarHBondContact OG-N 2.93Å | ||
| 317 | F | 95 | Very high | 92.8 | Very high | 44 Ų | 44 | 67 Ų | 67 | 19% | 0.193 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 141.6 | -179 | 168.6 | -101 | 0 | 0 | 0 | 111.2 | R315 T327 L328 Y344 F356 P357 F360 | R315-F317 PolarHBondContact O-N 3.43Å; F317-T327 VanDerWaalsContact O-CA 3.29Å; F317-T327 WeakPolarHBondContact O-CA 3.32Å; F317-L328 PolarHBondContact N-O 3.31Å; F317-L328 PolarHBondContact O-N 3.32Å; F317-Y344 HydrophobicContact CE1-CE1 4.48Å; F317-Y344 HydrophobicContact CZ-CE1 4.4Å; F317-F356 HydrophobicContact CB-CE2 3.7Å; F317-F356 HydrophobicContact CB-CZ 3.84Å; F317-F356 AromaticContact CD1-CD2 3.85Å; F317-F356 HydrophobicContact CD1-CD2 3.85Å; F317-F356 AromaticContact CD1-CE2 3.64Å; F317-F356 HydrophobicContact CD1-CE2 3.64Å; F317-F356 HydrophobicContact CD1-CZ 4.42Å; F317-F356 HydrophobicContact CG-CE2 4.14Å; F317-P357 HydrophobicContact CD1-CG 3.91Å; F317-P357 HydrophobicContact CD2-CG 4.3Å; F317-P357 VanDerWaalsContact CE1-CD 3.5Å; F317-P357 HydrophobicContact CE1-CG 3.74Å; F317-P357 HydrophobicContact CE2-CG 4.15Å; F317-P357 HydrophobicContact CG-CG 4.17Å; F317-P357 HydrophobicContact CZ-CG 3.88Å; F317-F360 HydrophobicContact CB-CD2 3.69Å; F317-F360 HydrophobicContact CB-CE2 4.02Å; F317-F360 HydrophobicContact CD2-CD2 4.08Å; F317-F360 AromaticContact CD2-CE2 3.63Å; F317-F360 HydrophobicContact CD2-CE2 3.63Å; F317-F360 HydrophobicContact CE2-CE2 4.34Å; F317-F360 AromaticContact CG-CD2 3.93Å; F317-F360 HydrophobicContact CG-CD2 3.93Å; F317-F360 AromaticContact CG-CE2 3.97Å; F317-F360 HydrophobicContact CG-CE2 3.97Å |
| 318 | V | 94.9 | Very high | 93.3 | Very high | 115 Ų | 115 | 63.5 Ų | 63.5 | 70% | 0.697 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 83.1 | -177.1 | -173.1 | 0 | 0 | 0 | 0 | 109.8 | T327 | V318-T327 HydrophobicContact CB-CG2 4.42Å; V318-T327 HydrophobicContact CG1-CG2 4.34Å; V318-T327 HydrophobicContact CG2-CG2 4.18Å |
| 319 | G | 91.6 | Very high | 93.5 | Very high | 8 Ų | 8 | 69 Ų | 69 | 8% | 0.082 | 34% | 0.338 | C | S | . | . | trans | -65.8 | 143.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R321 | G319-R321 PolarHBondContact O-N 3.33Š| ||
| 320 | N | 92.1 | Very high | 93.6 | Very high | 74 Ų | 74 | 69.6 Ų | 69.6 | 40% | 0.396 | 34% | 0.344 | S | S | . | . | trans | -73.8 | 111.8 | 171.4 | 179.3 | 2 | 0 | 0 | 0 | 110.9 | E322 I323 Q325 | N320-E322 PolarHBondContact O-N 2.78Å; N320-E322 PolarHBondContact OD1-N 3.23Å; N320-I323 HydrophobicContact CB-CD1 4.14Å; N320-I323 HydrophobicContact CB-CG1 3.88Å; N320-I323 VanDerWaalsContact O-CG1 3.26Å; N320-I323 WeakPolarHBondContact O-CG1 3.33Å; N320-I323 PolarHBondContact O-N 3.03Å; N320-Q325 WeakPolarHBondContact O-CB 3.5Å; N320-Q325 PolarHBondContact O-N 3.22Å | ||
| 321 | R | 90.2 | Very high | 93.6 | Very high | 222 Ų | 222 | 73.9 Ų | 73.9 | 84% | 0.838 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -63.1 | -23.9 | -177 | -169.9 | 176.1 | 178.3 | -164 | -2.9 | 114.4 | G319 G324 Q325 | G319-R321 PolarHBondContact O-N 3.33Å; R321-G324 PolarHBondContact O-N 3.31Å; R321-G324 VanDerWaalsContact O-N 3.12Å; R321-Q325 WeakPolarHBondContact CA-O 3.34Å |
| 322 | E | 87.3 | Confident | 93.6 | Very high | 122 Ų | 122 | 76.2 Ų | 76.2 | 57% | 0.57 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -71.6 | -39.3 | -177.1 | -59.8 | -171.9 | 132.6 | 0 | 0 | 112.4 | Y157 N320 G324 | Y157-E322 WeakPolarHBondContact CE2-OE1 3.32Å; Y157-E322 WeakPolarHBondContact CE2-OE2 3.46Å; Y157-E322 VanDerWaalsContact CZ-OE2 3.3Å; Y157-E322 PolarHBondContact OH-OE1 2.79Å; Y157-E322 PolarHBondContact OH-OE2 3.39Å; N320-E322 PolarHBondContact O-N 2.78Å; N320-E322 PolarHBondContact OD1-N 3.23Å; E322-G324 PolarHBondContact O-N 3.41Å |
| 323 | I | 89.3 | Confident | 93.5 | Very high | 102 Ų | 102 | 72.8 Ų | 72.8 | 52% | 0.523 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -83.8 | 19.5 | 169.4 | 58.1 | 172.6 | 0 | 0 | 0 | 112 | N320 Q325 | N320-I323 HydrophobicContact CB-CD1 4.14Å; N320-I323 HydrophobicContact CB-CG1 3.88Å; N320-I323 VanDerWaalsContact O-CG1 3.26Å; N320-I323 WeakPolarHBondContact O-CG1 3.33Å; N320-I323 PolarHBondContact O-N 3.03Å; I323-Q325 VanDerWaalsContact C-N 3.29Å; I323-Q325 HydrophobicContact CD1-CG 4.14Å; I323-Q325 HydrophobicContact CG1-CG 4.03Å; I323-Q325 PolarHBondContact O-N 3.26Å |
| 324 | G | 90.4 | Very high | 93.5 | Very high | 36 Ų | 36 | 72.8 Ų | 72.8 | 37% | 0.371 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 8.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | R321 E322 G354 L355 | R321-G324 PolarHBondContact O-N 3.31Å; R321-G324 VanDerWaalsContact O-N 3.12Å; E322-G324 PolarHBondContact O-N 3.41Å; G324-G354 CarbonylContact O-C 3.59Å; G324-G354 WeakPolarHBondContact O-CA 3.31Å; G324-L355 PolarHBondContact O-N 3.15Å |
| 325 | Q | 94.3 | Very high | 93.5 | Very high | 23 Ų | 23 | 70.7 Ų | 70.7 | 11% | 0.107 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -74.1 | 160.1 | 176.6 | -62.5 | 171.7 | -8.2 | 0 | 0 | 112.3 | N320 R321 I323 Y344 L355 | N320-Q325 WeakPolarHBondContact O-CB 3.5Å; N320-Q325 PolarHBondContact O-N 3.22Å; R321-Q325 WeakPolarHBondContact CA-O 3.34Å; I323-Q325 VanDerWaalsContact C-N 3.29Å; I323-Q325 HydrophobicContact CD1-CG 4.14Å; I323-Q325 HydrophobicContact CG1-CG 4.03Å; I323-Q325 PolarHBondContact O-N 3.26Å; Q325-Y344 HydrophobicContact CG-CD1 4.27Å; Q325-Y344 HydrophobicContact CG-CE1 4.07Å; Q325-Y344 PolarHBondContact NE2-OH 3.22Å; Q325-L355 CarbonylContact C-O 3.48Å; Q325-L355 WeakPolarHBondContact CA-O 3.29Å; Q325-L355 WeakPolarHBondContact CB-O 3.11Å; Q325-L355 HydrophobicContact CG-CB 4.05Å |
| 326 | I | 94.7 | Very high | 93.5 | Very high | 12 Ų | 12 | 64.4 Ų | 64.4 | 6% | 0.062 | 33% | 0.329 | C | S | . | . | trans | -120.1 | 139.3 | -179.6 | -174.9 | 165.4 | 0 | 0 | 0 | 112.3 | L328 V347 T349 K352 L355 F356 | I326-L328 HydrophobicContact CD1-CD2 3.88Å; I326-L328 HydrophobicContact CG1-CD2 3.89Å; I326-L328 HydrophobicContact CG1-CG 4.4Å; I326-L328 HydrophobicContact CG2-CD1 4.38Å; I326-L328 HydrophobicContact CG2-CD2 4.32Å; I326-L328 HydrophobicContact CG2-CG 4.14Å; I326-V347 HydrophobicContact CG2-CG2 3.92Å; I326-T349 HydrophobicContact CD1-CG2 3.95Å; I326-K352 HydrophobicContact CD1-CB 3.58Å; I326-K352 HydrophobicContact CD1-CD 4.27Å; I326-L355 PolarHBondContact N-O 3.05Å; I326-F356 HydrophobicContact CG2-CB 4.19Å; I326-F356 HydrophobicContact CG2-CD2 4.18Å; I326-F356 WeakPolarHBondContact O-CD2 3.08Å | ||
| 327 | T | 94.9 | Very high | 93.3 | Very high | 81 Ų | 81 | 63.1 Ų | 63.1 | 50% | 0.497 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 119.9 | 166.3 | -50.8 | 0 | 0 | 0 | 0 | 110.4 | F317 V318 | F317-T327 VanDerWaalsContact O-CA 3.29Å; F317-T327 WeakPolarHBondContact O-CA 3.32Å; V318-T327 HydrophobicContact CB-CG2 4.42Å; V318-T327 HydrophobicContact CG1-CG2 4.34Å; V318-T327 HydrophobicContact CG2-CG2 4.18Å |
| 328 | L | 95.3 | Very high | 93 | Very high | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 154.1 | 171.4 | -53.5 | 177.9 | 0 | 0 | 0 | 110.6 | V313 S316 F317 I326 V334 V347 T349 F356 | V313-L328 HydrophobicContact CG1-CB 4.34Å; V313-L328 HydrophobicContact CG2-CB 4.04Å; V313-L328 HydrophobicContact CG2-CD1 3.63Å; V313-L328 HydrophobicContact CG2-CG 4.48Å; S316-L328 WeakPolarHBondContact CA-O 3.18Å; F317-L328 PolarHBondContact N-O 3.31Å; F317-L328 PolarHBondContact O-N 3.32Å; I326-L328 HydrophobicContact CD1-CD2 3.88Å; I326-L328 HydrophobicContact CG1-CD2 3.89Å; I326-L328 HydrophobicContact CG1-CG 4.4Å; I326-L328 HydrophobicContact CG2-CD1 4.38Å; I326-L328 HydrophobicContact CG2-CD2 4.32Å; I326-L328 HydrophobicContact CG2-CG 4.14Å; L328-V334 HydrophobicContact CD1-CG1 3.75Å; L328-V334 HydrophobicContact CD2-CG1 4.35Å; L328-V347 HydrophobicContact CD1-CG2 4.09Å; L328-T349 HydrophobicContact CD2-CG2 3.38Å; L328-F356 HydrophobicContact CB-CD2 4.16Å; L328-F356 HydrophobicContact CB-CE2 3.51Å; L328-F356 HydrophobicContact CB-CZ 3.91Å; L328-F356 HydrophobicContact CD1-CB 4.45Å; L328-F356 HydrophobicContact CD1-CD1 4.12Å; L328-F356 HydrophobicContact CD1-CD2 3.54Å; L328-F356 HydrophobicContact CD1-CE1 4.21Å; L328-F356 HydrophobicContact CD1-CE2 3.67Å; L328-F356 HydrophobicContact CD1-CG 3.78Å; L328-F356 HydrophobicContact CD1-CZ 4.01Å; L328-F356 HydrophobicContact CG-CD2 3.72Å; L328-F356 HydrophobicContact CG-CE2 3.62Å; L328-F356 HydrophobicContact CG-CG 4.45Å; L328-F356 HydrophobicContact CG-CZ 4.28Å |
| 329 | K | 94.9 | Very high | 92.7 | Very high | 146 Ų | 146 | 63.7 Ų | 63.7 | 64% | 0.635 | 32% | 0.324 | S | S | * | . | trans | -97 | 154.7 | 170.8 | -63.4 | -172 | 176.6 | -170.1 | 0 | 110.2 | V313 Q332 | V313-K329 WeakPolarHBondContact CB-O 3.49Å; V313-K329 VanDerWaalsContact CG1-O 3.26Å; V313-K329 WeakPolarHBondContact CG1-O 3.4Å; K329-Q332 HydrophobicContact CB-CG 4.08Å; K329-Q332 WeakPolarHBondContact O-CB 3.14Å; K329-Q332 WeakPolarHBondContact O-CG 3.45Å; K329-Q332 PolarHBondContact O-N 2.97Å | ||
| 330 | K | 94.6 | Very high | 92.7 | Very high | 115 Ų | 115 | 67.9 Ų | 67.9 | 50% | 0.5 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | 147.5 | 163.8 | -177.3 | -178.8 | 174 | -167.7 | 0 | 111.1 | V313 T314 S316 Q332 | V313-K330 CarbonylContact O-C 3.54Å; V313-K330 WeakPolarHBondContact O-CA 3.45Å; T314-K330 WeakPolarHBondContact O-CD 3.14Å; T314-K330 WeakPolarHBondContact O-CG 3.47Å; S316-K330 PolarHBondContact OG-N 2.93Å; K330-Q332 PolarHBondContact O-N 2.87Å |
| 331 | D | 93.6 | Very high | 92.7 | Very high | 91 Ų | 91 | 70 Ų | 70 | 49% | 0.487 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 10.8 | 178.5 | -51.4 | -45.1 | 0 | 0 | 0 | 114.5 | V313 | V313-D331 PolarHBondContact O-N 2.64Š|
| 332 | Q | 94.6 | Very high | 92.5 | Very high | 62 Ų | 62 | 63 Ų | 63 | 29% | 0.29 | 36% | 0.355 | S | S | . | . | trans | -78.9 | 143.2 | 166.8 | -65.7 | -165.8 | -59.3 | 0 | 0 | 111.2 | V313 K329 K330 | V313-Q332 HydrophobicContact CG2-CB 4.33Å; V313-Q332 WeakPolarHBondContact CG2-O 3.47Å; V313-Q332 PolarHBondContact N-O 2.86Å; K329-Q332 HydrophobicContact CB-CG 4.08Å; K329-Q332 WeakPolarHBondContact O-CB 3.14Å; K329-Q332 WeakPolarHBondContact O-CG 3.45Å; K329-Q332 PolarHBondContact O-N 2.97Å; K330-Q332 PolarHBondContact O-N 2.87Å | ||
| 333 | I | 95.3 | Very high | 92.7 | Very high | 6 Ų | 6 | 58.5 Ų | 58.5 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 136.5 | 176.1 | -50.1 | -57.2 | 0 | 0 | 0 | 109.8 | V253 L255 P270 V310 H311 R312 I364 | V253-I333 HydrophobicContact CG1-CG2 4.1Å; L255-I333 HydrophobicContact CD2-CB 4.25Å; L255-I333 WeakPolarHBondContact CD2-O 3.4Å; P270-I333 HydrophobicContact CB-CD1 4.32Å; P270-I333 HydrophobicContact CB-CG1 3.83Å; V310-I333 HydrophobicContact CG1-CG2 3.76Å; H311-I333 WeakPolarHBondContact O-CA 3.44Å; R312-I333 HydrophobicContact CB-CD1 4Å; R312-I333 HydrophobicContact CG-CD1 4.33Å; I333-I364 HydrophobicContact CD1-CD1 3.91Å; I333-I364 HydrophobicContact CG2-CD1 4.18Å |
| 334 | V | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 152.8 | 177.8 | -63.5 | 0 | 0 | 0 | 0 | 112 | H311 L328 V347 Y348 T349 L361 | H311-V334 HydrophobicContact CB-CG2 4.17Å; H311-V334 PolarHBondContact N-O 3.06Å; H311-V334 PolarHBondContact O-N 3.41Å; L328-V334 HydrophobicContact CD1-CG1 3.75Å; L328-V334 HydrophobicContact CD2-CG1 4.35Å; V334-V347 HydrophobicContact CB-CB 4.01Å; V334-V347 HydrophobicContact CB-CG2 4.47Å; V334-V347 HydrophobicContact CG2-CB 3.87Å; V334-V347 HydrophobicContact CG2-CG1 3.96Å; V334-V347 HydrophobicContact CG2-CG2 4.35Å; V334-Y348 WeakPolarHBondContact CA-O 3.5Å; V334-T349 HydrophobicContact CG1-CG2 3.63Å; V334-L361 HydrophobicContact CG2-CD2 3.95Å |
| 335 | V | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 127.6 | 176.3 | 177 | 0 | 0 | 0 | 0 | 109.5 | I302 V304 E308 V310 K337 V347 Y348 | I302-V335 HydrophobicContact CB-CG2 4.48Å; I302-V335 HydrophobicContact CD1-CB 4.21Å; I302-V335 HydrophobicContact CD1-CG2 3.72Å; I302-V335 HydrophobicContact CG1-CG2 3.97Å; I302-V335 HydrophobicContact CG2-CG2 3.69Å; V304-V335 HydrophobicContact CG1-CG1 4.26Å; V304-V335 HydrophobicContact CG2-CG2 3.88Å; E308-V335 HydrophobicContact CB-CG1 3.85Å; V310-V335 HydrophobicContact CG1-CG2 4.43Å; V310-V335 HydrophobicContact CG2-CG2 4.38Å; V335-K337 HydrophobicContact CG1-CD 4.2Å; V335-V347 CarbonylContact O-C 3.58Å; V335-V347 WeakPolarHBondContact O-CA 3.07Å; V335-Y348 PolarHBondContact N-O 3.48Å; V335-Y348 PolarHBondContact O-N 2.85Å |
| 336 | Q | 94.8 | Very high | 93.2 | Very high | 9 Ų | 9 | 59.5 Ų | 59.5 | 4% | 0.042 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 134.7 | 173.3 | 173 | 168.3 | -1.8 | 0 | 0 | 110.8 | R309 H311 G338 V345 | R309-Q336 HydrophobicContact CB-CB 4.28Å; R309-Q336 WeakPolarHBondContact O-CB 3.46Å; R309-Q336 PolarHBondContact O-N 3.14Å; H311-Q336 PolarHBondContact NE2-OE1 3.35Å; Q336-G338 WeakPolarHBondContact CG-O 3.43Å; Q336-G338 PolarHBondContact NE2-O 2.93Å; Q336-V345 HydrophobicContact CG-CG2 3.63Å |
| 337 | K | 91.6 | Very high | 93.3 | Very high | 53 Ų | 53 | 58.9 Ų | 58.9 | 23% | 0.23 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 70.5 | -176.2 | -61.8 | -61.4 | -171.2 | -176.8 | 0 | 110.5 | E308 V335 K346 | E308-K337 HydrophobicContact CG-CD 4.41Å; E308-K337 WeakPolarHBondContact OE1-CD 3.29Å; E308-K337 IonicContact OE1-NZ 3.27Å; E308-K337 PolarHBondContact OE1-NZ 3.17Å; E308-K337 IonicContact OE2-NZ 2.63Å; E308-K337 PolarHBondContact OE2-NZ 3.04Å; V335-K337 HydrophobicContact CG1-CD 4.2Å; K337-K346 PolarHBondContact N-O 2.95Å |
| 338 | G | 87.6 | Confident | 93.2 | Very high | 42 Ų | 42 | 58.7 Ų | 58.7 | 43% | 0.433 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 111.7 | 176.1 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q336 | Q336-G338 WeakPolarHBondContact CG-O 3.43Å; Q336-G338 PolarHBondContact NE2-O 2.93Å |
| 339 | D | 89.9 | Confident | 93.1 | Very high | 129 Ų | 129 | 59.5 Ų | 59.5 | 69% | 0.69 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 171.2 | -171.6 | -54.3 | -74.7 | 0 | 0 | 0 | 113.8 | ||
| 340 | E | 91.9 | Very high | 92.7 | Very high | 97 Ų | 97 | 53.8 Ų | 53.8 | 45% | 0.453 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 135.7 | 174.3 | 178.6 | 174.6 | -171 | 0 | 0 | 110.8 | G343 T358 | E340-G343 WeakPolarHBondContact OE1-CA 3.02Å; E340-T358 HydrophobicContact CB-CG2 4.47Å; E340-T358 VanDerWaalsContact CD-CG2 3.43Å; E340-T358 HydrophobicContact CG-CG2 3.91Å; E340-T358 WeakPolarHBondContact OE1-CB 3.47Å; E340-T358 WeakPolarHBondContact OE1-CG2 3.35Å; E340-T358 PolarHBondContact OE1-OG1 2.76Å |
| 341 | V | 91.1 | Very high | 92.4 | Very high | 117 Ų | 117 | 56.1 Ų | 56.1 | 71% | 0.709 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 109.5 | 177.9 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | Y344 | V341-Y344 PolarHBondContact N-O 3.3Å; V341-Y344 PolarHBondContact O-N 2.61Å |
| 342 | G | 86.7 | Confident | 92.3 | Very high | 77 Ų | 77 | 58.6 Ų | 58.6 | 79% | 0.794 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 40.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y344 | G342-Y344 WeakPolarHBondContact O-CD2 3.28Å; G342-Y344 PolarHBondContact O-N 2.69Å |
| 343 | G | 90.9 | Very high | 92.3 | Very high | 27 Ų | 27 | 59.4 Ų | 59.4 | 28% | 0.278 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 4.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E340 P357 T358 | E340-G343 WeakPolarHBondContact OE1-CA 3.02Å; G343-P357 WeakPolarHBondContact O-CA 3.24Å; G343-T358 PolarHBondContact O-N 2.9Å; G343-T358 PolarHBondContact O-OG1 3.32Å |
| 344 | Y | 94.3 | Very high | 92.2 | Very high | 74 Ų | 74 | 59.5 Ų | 59.5 | 29% | 0.29 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 138.4 | 174.9 | -71.7 | -94.4 | 0 | 0 | 0 | 110.8 | F317 Q325 V341 G342 L355 F356 P357 | F317-Y344 HydrophobicContact CE1-CE1 4.48Å; F317-Y344 HydrophobicContact CZ-CE1 4.4Å; Q325-Y344 HydrophobicContact CG-CD1 4.27Å; Q325-Y344 HydrophobicContact CG-CE1 4.07Å; Q325-Y344 PolarHBondContact NE2-OH 3.22Å; V341-Y344 PolarHBondContact N-O 3.3Å; V341-Y344 PolarHBondContact O-N 2.61Å; G342-Y344 WeakPolarHBondContact O-CD2 3.28Å; G342-Y344 PolarHBondContact O-N 2.69Å; Y344-L355 HydrophobicContact CD1-CB 4.32Å; Y344-F356 WeakPolarHBondContact CA-O 3.46Å; Y344-P357 HydrophobicContact CD1-CG 4.18Å; Y344-P357 HydrophobicContact CE1-CB 4.41Å; Y344-P357 HydrophobicContact CE1-CG 3.61Å |
| 345 | V | 95.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.006 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 146.3 | 174.6 | 67.2 | 0 | 0 | 0 | 0 | 110.6 | Q336 V347 L355 F356 T358 L361 | Q336-V345 HydrophobicContact CG-CG2 3.63Å; V345-V347 HydrophobicContact CG1-CG1 3.89Å; V345-V347 PolarHBondContact O-N 3.47Å; V345-L355 WeakPolarHBondContact O-CA 3.29Å; V345-F356 PolarHBondContact N-O 2.91Å; V345-F356 PolarHBondContact O-N 2.87Å; V345-T358 HydrophobicContact CB-CG2 3.78Å; V345-T358 HydrophobicContact CG1-CG2 3.57Å; V345-L361 HydrophobicContact CG1-CD1 3.42Å; V345-L361 VanDerWaalsContact CG1-CD1 3.42Å |
| 346 | K | 95.1 | Very high | 92.3 | Very high | 106 Ų | 106 | 62.4 Ų | 62.4 | 46% | 0.461 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 115.9 | 179.8 | -170.8 | 173.8 | -178.3 | 177.8 | 0 | 110 | K337 V353 L355 | K337-K346 PolarHBondContact N-O 2.95Å; K346-V353 HydrophobicContact CD-CG1 4.43Å; K346-V353 HydrophobicContact CG-CG1 3.94Å; K346-L355 HydrophobicContact CB-CD2 4.06Å |
| 347 | V | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 154 | -174.8 | -59.4 | 0 | 0 | 0 | 0 | 112.6 | I326 L328 V334 V335 V345 V353 G354 F356 L361 | I326-V347 HydrophobicContact CG2-CG2 3.92Å; L328-V347 HydrophobicContact CD1-CG2 4.09Å; V334-V347 HydrophobicContact CB-CB 4.01Å; V334-V347 HydrophobicContact CB-CG2 4.47Å; V334-V347 HydrophobicContact CG2-CB 3.87Å; V334-V347 HydrophobicContact CG2-CG1 3.96Å; V334-V347 HydrophobicContact CG2-CG2 4.35Å; V335-V347 CarbonylContact O-C 3.58Å; V335-V347 WeakPolarHBondContact O-CA 3.07Å; V345-V347 HydrophobicContact CG1-CG1 3.89Å; V345-V347 PolarHBondContact O-N 3.47Å; V347-V353 WeakPolarHBondContact O-CA 3.31Å; V347-G354 PolarHBondContact N-O 2.95Å; V347-G354 PolarHBondContact O-N 2.91Å; V347-G354 VanDerWaalsContact O-N 3.09Å; V347-F356 HydrophobicContact CG1-CB 4.36Å; V347-F356 HydrophobicContact CG2-CB 3.69Å; V347-F356 HydrophobicContact CG2-CG 4.48Å; V347-L361 HydrophobicContact CG1-CD1 3.97Å |
| 348 | Y | 94.5 | Very high | 92.5 | Very high | 76 Ų | 76 | 61.4 Ų | 61.4 | 30% | 0.298 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 127.6 | 179.5 | -178.4 | -133 | 0 | 0 | 0 | 111.7 | I302 V334 V335 G350 K352 V353 | I302-Y348 HydrophobicContact CD1-CD1 3.71Å; I302-Y348 HydrophobicContact CD1-CE1 4.1Å; I302-Y348 HydrophobicContact CD1-CG 4.41Å; I302-Y348 HydrophobicContact CG1-CD1 4.4Å; I302-Y348 HydrophobicContact CG1-CE1 4.47Å; V334-Y348 WeakPolarHBondContact CA-O 3.5Å; V335-Y348 PolarHBondContact N-O 3.48Å; V335-Y348 PolarHBondContact O-N 2.85Å; Y348-G350 VanDerWaalsContact CZ-CA 3.46Å; Y348-G350 PolarHBondContact OH-O 2.91Å; Y348-G350 VanDerWaalsContact OH-O 3.1Å; Y348-K352 WeakPolarHBondContact CD2-O 3.46Å; Y348-V353 HydrophobicContact CD2-CG2 3.4Å; Y348-V353 HydrophobicContact CE2-CG2 3.99Å; Y348-V353 HydrophobicContact CG-CG2 4.15Å |
| 349 | T | 92.3 | Very high | 92.8 | Very high | 21 Ų | 21 | 65 Ų | 65 | 13% | 0.129 | 35% | 0.351 | C | S | . | . | trans | -97.8 | 11.8 | -177.6 | 55.6 | 0 | 0 | 0 | 0 | 113.6 | I326 L328 V334 R351 K352 | I326-T349 HydrophobicContact CD1-CG2 3.95Å; L328-T349 HydrophobicContact CD2-CG2 3.38Å; V334-T349 HydrophobicContact CG1-CG2 3.63Å; T349-R351 PolarHBondContact O-N 3Å; T349-K352 PolarHBondContact N-O 3.02Å; T349-K352 WeakPolarHBondContact OG1-CA 3.36Å; T349-K352 PolarHBondContact OG1-N 2.93Å; T349-K352 PolarHBondContact OG1-O 3.01Å | ||
| 350 | G | 87.4 | Confident | 93.1 | Very high | 26 Ų | 26 | 61 Ų | 61 | 27% | 0.268 | 33% | 0.328 | S | S | . | . | S | Bend | trans | 75.2 | -16.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y348 | Y348-G350 VanDerWaalsContact CZ-CA 3.46Å; Y348-G350 PolarHBondContact OH-O 2.91Å; Y348-G350 VanDerWaalsContact OH-O 3.1Å |
| 351 | R | 88.4 | Confident | 93.3 | Very high | 165 Ų | 165 | 57.5 Ų | 57.5 | 62% | 0.623 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -128.2 | -22 | 179.3 | -55.5 | -175.4 | -170.2 | -175.1 | 3.9 | 114.3 | T349 | T349-R351 PolarHBondContact O-N 3Š|
| 352 | K | 91 | Very high | 93.5 | Very high | 143 Ų | 143 | 55.9 Ų | 55.9 | 62% | 0.622 | 30% | 0.297 | S | S | * | . | trans | -145.8 | 141.6 | -177.5 | -58.3 | 177.4 | -174.9 | 174.2 | 0 | 110.4 | I326 Y348 T349 | I326-K352 HydrophobicContact CD1-CB 3.58Å; I326-K352 HydrophobicContact CD1-CD 4.27Å; Y348-K352 WeakPolarHBondContact CD2-O 3.46Å; T349-K352 PolarHBondContact N-O 3.02Å; T349-K352 WeakPolarHBondContact OG1-CA 3.36Å; T349-K352 PolarHBondContact OG1-N 2.93Å; T349-K352 PolarHBondContact OG1-O 3.01Å | ||
| 353 | V | 93.4 | Very high | 93.8 | Very high | 79 Ų | 79 | 57.5 Ų | 57.5 | 48% | 0.479 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 145.4 | 169.7 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | K346 V347 Y348 | K346-V353 HydrophobicContact CD-CG1 4.43Å; K346-V353 HydrophobicContact CG-CG1 3.94Å; V347-V353 WeakPolarHBondContact O-CA 3.31Å; Y348-V353 HydrophobicContact CD2-CG2 3.4Å; Y348-V353 HydrophobicContact CE2-CG2 3.99Å; Y348-V353 HydrophobicContact CG-CG2 4.15Å |
| 354 | G | 94.3 | Very high | 93.8 | Very high | 7 Ų | 7 | 59.2 Ų | 59.2 | 7% | 0.072 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.1 | 176.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G324 V347 | G324-G354 CarbonylContact O-C 3.59Å; G324-G354 WeakPolarHBondContact O-CA 3.31Å; V347-G354 PolarHBondContact N-O 2.95Å; V347-G354 PolarHBondContact O-N 2.91Å; V347-G354 VanDerWaalsContact O-N 3.09Å |
| 355 | L | 95 | Very high | 93.8 | Very high | 62 Ų | 62 | 58.5 Ų | 58.5 | 33% | 0.325 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 140 | 173.2 | -64.5 | 175.5 | 0 | 0 | 0 | 111 | G324 Q325 I326 Y344 V345 K346 | G324-L355 PolarHBondContact O-N 3.15Å; Q325-L355 CarbonylContact C-O 3.48Å; Q325-L355 WeakPolarHBondContact CA-O 3.29Å; Q325-L355 WeakPolarHBondContact CB-O 3.11Å; Q325-L355 HydrophobicContact CG-CB 4.05Å; I326-L355 PolarHBondContact N-O 3.05Å; Y344-L355 HydrophobicContact CD1-CB 4.32Å; V345-L355 WeakPolarHBondContact O-CA 3.29Å; K346-L355 HydrophobicContact CB-CD2 4.06Å |
| 356 | F | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 143.7 | 179.5 | -165 | -99.6 | 0 | 0 | 0 | 110.6 | V313 F317 I326 L328 Y344 V345 V347 F360 L361 | V313-F356 HydrophobicContact CG1-CE1 3.96Å; V313-F356 HydrophobicContact CG1-CZ 3.66Å; V313-F356 HydrophobicContact CG2-CE1 4.19Å; V313-F356 HydrophobicContact CG2-CZ 4.32Å; F317-F356 HydrophobicContact CB-CE2 3.7Å; F317-F356 HydrophobicContact CB-CZ 3.84Å; F317-F356 AromaticContact CD1-CD2 3.85Å; F317-F356 HydrophobicContact CD1-CD2 3.85Å; F317-F356 AromaticContact CD1-CE2 3.64Å; F317-F356 HydrophobicContact CD1-CE2 3.64Å; F317-F356 HydrophobicContact CD1-CZ 4.42Å; F317-F356 HydrophobicContact CG-CE2 4.14Å; I326-F356 HydrophobicContact CG2-CB 4.19Å; I326-F356 HydrophobicContact CG2-CD2 4.18Å; I326-F356 WeakPolarHBondContact O-CD2 3.08Å; L328-F356 HydrophobicContact CB-CD2 4.16Å; L328-F356 HydrophobicContact CB-CE2 3.51Å; L328-F356 HydrophobicContact CB-CZ 3.91Å; L328-F356 HydrophobicContact CD1-CB 4.45Å; L328-F356 HydrophobicContact CD1-CD1 4.12Å; L328-F356 HydrophobicContact CD1-CD2 3.54Å; L328-F356 HydrophobicContact CD1-CE1 4.21Å; L328-F356 HydrophobicContact CD1-CE2 3.67Å; L328-F356 HydrophobicContact CD1-CG 3.78Å; L328-F356 HydrophobicContact CD1-CZ 4.01Å; L328-F356 HydrophobicContact CG-CD2 3.72Å; L328-F356 HydrophobicContact CG-CE2 3.62Å; L328-F356 HydrophobicContact CG-CG 4.45Å; L328-F356 HydrophobicContact CG-CZ 4.28Å; Y344-F356 WeakPolarHBondContact CA-O 3.46Å; V345-F356 PolarHBondContact N-O 2.91Å; V345-F356 PolarHBondContact O-N 2.87Å; V347-F356 HydrophobicContact CG1-CB 4.36Å; V347-F356 HydrophobicContact CG2-CB 3.69Å; V347-F356 HydrophobicContact CG2-CG 4.48Å; F356-F360 HydrophobicContact CE1-CB 3.6Å; F356-F360 HydrophobicContact CZ-CB 4.04Å; F356-L361 HydrophobicContact CD1-CD1 4.1Å; F356-L361 HydrophobicContact CD1-CD2 3.62Å; F356-L361 HydrophobicContact CD1-CG 3.74Å; F356-L361 HydrophobicContact CE1-CD2 3.74Å; F356-L361 HydrophobicContact CE1-CG 4.07Å |
| 357 | P | 95.4 | Very high | 93.6 | Very high | 6 Ų | 6 | 59 Ų | 59 | 4% | 0.039 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 137.3 | -179.8 | -22.3 | 33.1 | 0 | 0 | 0 | 112.4 | F317 G343 Y344 F360 | F317-P357 HydrophobicContact CD1-CG 3.91Å; F317-P357 HydrophobicContact CD2-CG 4.3Å; F317-P357 VanDerWaalsContact CE1-CD 3.5Å; F317-P357 HydrophobicContact CE1-CG 3.74Å; F317-P357 HydrophobicContact CE2-CG 4.15Å; F317-P357 HydrophobicContact CG-CG 4.17Å; F317-P357 HydrophobicContact CZ-CG 3.88Å; G343-P357 WeakPolarHBondContact O-CA 3.24Å; Y344-P357 HydrophobicContact CD1-CG 4.18Å; Y344-P357 HydrophobicContact CE1-CB 4.41Å; Y344-P357 HydrophobicContact CE1-CG 3.61Å; P357-F360 HydrophobicContact CB-CD2 3.67Å; P357-F360 HydrophobicContact CB-CE2 4.03Å; P357-F360 HydrophobicContact CB-CG 4.27Å; P357-F360 HydrophobicContact CG-CD2 3.64Å; P357-F360 HydrophobicContact CG-CE2 3.85Å; P357-F360 PolarHBondContact O-N 3.24Å |
| 358 | T | 95.1 | Very high | 93.5 | Very high | 34 Ų | 34 | 62.5 Ų | 62.5 | 21% | 0.209 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -69.4 | -32.1 | 175.1 | 40.1 | 0 | 0 | 0 | 0 | 112.5 | E340 G343 V345 F360 L361 | E340-T358 HydrophobicContact CB-CG2 4.47Å; E340-T358 VanDerWaalsContact CD-CG2 3.43Å; E340-T358 HydrophobicContact CG-CG2 3.91Å; E340-T358 WeakPolarHBondContact OE1-CB 3.47Å; E340-T358 WeakPolarHBondContact OE1-CG2 3.35Å; E340-T358 PolarHBondContact OE1-OG1 2.76Å; G343-T358 PolarHBondContact O-N 2.9Å; G343-T358 PolarHBondContact O-OG1 3.32Å; V345-T358 HydrophobicContact CB-CG2 3.78Å; V345-T358 HydrophobicContact CG1-CG2 3.57Å; T358-F360 PolarHBondContact O-N 2.9Å; T358-L361 PolarHBondContact O-N 3.35Å |
| 359 | D | 95 | Very high | 93.5 | Very high | 117 Ų | 117 | 61.6 Ų | 61.6 | 63% | 0.626 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -55.6 | -15.2 | 172.6 | -64.3 | -39.7 | 0 | 0 | 0 | 115.4 | R315 | R315-D359 PolarHBondContact NH2-O 2.81Š|
| 360 | F | 95.9 | Very high | 93.5 | Very high | 46 Ų | 46 | 64.3 Ų | 64.3 | 20% | 0.202 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -114.4 | 14.3 | -178.4 | -54.9 | -29.4 | 0 | 0 | 0 | 112.7 | V313 T314 R315 F317 F356 P357 T358 | V313-F360 CarbonylContact C-O 3.59Å; V313-F360 WeakPolarHBondContact CA-O 3.44Å; T314-F360 PolarHBondContact N-O 3.41Å; T314-F360 WeakPolarHBondContact OG1-CA 3.23Å; T314-F360 PolarHBondContact OG1-O 3.45Å; R315-F360 HydrophobicContact CB-CB 4.41Å; R315-F360 HydrophobicContact CB-CD1 3.92Å; R315-F360 HydrophobicContact CB-CG 4.2Å; R315-F360 VanDerWaalsContact NE-CD1 3.33Å; F317-F360 HydrophobicContact CB-CD2 3.69Å; F317-F360 HydrophobicContact CB-CE2 4.02Å; F317-F360 HydrophobicContact CD2-CD2 4.08Å; F317-F360 AromaticContact CD2-CE2 3.63Å; F317-F360 HydrophobicContact CD2-CE2 3.63Å; F317-F360 HydrophobicContact CE2-CE2 4.34Å; F317-F360 AromaticContact CG-CD2 3.93Å; F317-F360 HydrophobicContact CG-CD2 3.93Å; F317-F360 AromaticContact CG-CE2 3.97Å; F317-F360 HydrophobicContact CG-CE2 3.97Å; F356-F360 HydrophobicContact CE1-CB 3.6Å; F356-F360 HydrophobicContact CZ-CB 4.04Å; P357-F360 HydrophobicContact CB-CD2 3.67Å; P357-F360 HydrophobicContact CB-CE2 4.03Å; P357-F360 HydrophobicContact CB-CG 4.27Å; P357-F360 HydrophobicContact CG-CD2 3.64Å; P357-F360 HydrophobicContact CG-CE2 3.85Å; P357-F360 PolarHBondContact O-N 3.24Å; T358-F360 PolarHBondContact O-N 2.9Å |
| 361 | L | 95.4 | Very high | 94 | Very high | 24 Ų | 24 | 67.1 Ų | 67.1 | 13% | 0.126 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 151 | 177.6 | -64.6 | 176.5 | 0 | 0 | 0 | 111.7 | H311 R312 V313 V334 V345 V347 F356 T358 | H311-L361 HydrophobicContact CB-CB 4.03Å; H311-L361 HydrophobicContact CB-CD1 4.39Å; H311-L361 HydrophobicContact CB-CD2 3.92Å; H311-L361 HydrophobicContact CB-CG 4.32Å; R312-L361 WeakPolarHBondContact O-CA 3.45Å; V313-L361 HydrophobicContact CG2-CD2 3.87Å; V334-L361 HydrophobicContact CG2-CD2 3.95Å; V345-L361 HydrophobicContact CG1-CD1 3.42Å; V345-L361 VanDerWaalsContact CG1-CD1 3.42Å; V347-L361 HydrophobicContact CG1-CD1 3.97Å; F356-L361 HydrophobicContact CD1-CD1 4.1Å; F356-L361 HydrophobicContact CD1-CD2 3.62Å; F356-L361 HydrophobicContact CD1-CG 3.74Å; F356-L361 HydrophobicContact CE1-CD2 3.74Å; F356-L361 HydrophobicContact CE1-CG 4.07Å; T358-L361 PolarHBondContact O-N 3.35Å |
| 362 | E | 95.5 | Very high | 94.4 | Very high | 83 Ų | 83 | 59.5 Ų | 59.5 | 39% | 0.388 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 123.5 | 178.3 | 175.1 | -169.4 | -168.6 | 0 | 0 | 108 | H311 R312 T314 | H311-E362 CarbonylContact C-O 3.37Å; H311-E362 WeakPolarHBondContact CA-O 3.37Å; R312-E362 IonicContact CZ-OE1 3.21Å; R312-E362 IonicContact CZ-OE2 3.84Å; R312-E362 VanDerWaalsContact CZ-OE2 3.23Å; R312-E362 PolarHBondContact N-O 3.33Å; R312-E362 IonicContact NE-OE2 2.74Å; R312-E362 PolarHBondContact NE-OE2 2.92Å; R312-E362 IonicContact NH2-OE1 3.73Å; R312-E362 PolarHBondContact NH2-OE1 3.47Å; R312-E362 IonicContact NH2-OE2 2.79Å; R312-E362 PolarHBondContact NH2-OE2 3.28Å; R312-E362 PolarHBondContact O-N 3.1Å; T314-E362 HydrophobicContact CG2-CB 3.48Å; T314-E362 VanDerWaalsContact CG2-CB 3.48Å; T314-E362 HydrophobicContact CG2-CG 4.5Å |
| 363 | E | 93.8 | Very high | 94.7 | Very high | 110 Ų | 110 | 52.6 Ų | 52.6 | 51% | 0.514 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 144.4 | -174.5 | -159.1 | 166.7 | 129.3 | 0 | 0 | 112.3 | R309 V310 H311 | R309-E363 HydrophobicContact CB-CG 4.43Å; R309-E363 WeakPolarHBondContact CD-OE1 3.5Å; R309-E363 VanDerWaalsContact CD-OE2 3.26Å; R309-E363 WeakPolarHBondContact CD-OE2 3.37Å; R309-E363 IonicContact CZ-OE2 3.98Å; R309-E363 IonicContact NE-OE1 2.63Å; R309-E363 IonicContact NE-OE2 2.73Å; R309-E363 PolarHBondContact NE-OE2 2.91Å; V310-E363 WeakPolarHBondContact O-CA 3.21Å; V310-E363 WeakPolarHBondContact O-CG 3.46Å; H311-E363 IonicContact CE1-OE2 3.19Å; H311-E363 PolarHBondContact CE1-OE2 3.42Å; H311-E363 IonicContact NE2-OE2 2.73Å |
| 364 | I | 91.1 | Very high | 94.8 | Very high | 63 Ų | 63 | 50.2 Ų | 50.2 | 32% | 0.323 | 26% | 0.257 | S | S | . | . | trans | -137.8 | 0 | -170.4 | 59.6 | 166.9 | 0 | 0 | 0 | 116.1 | K273 V310 R312 I333 | K273-I364 PolarHBondContact NZ-O 3.37Å; K273-I364 PolarHBondContact NZ-OXT 3.46Å; V310-I364 HydrophobicContact CB-CG1 4.11Å; V310-I364 HydrophobicContact CG1-CD1 4.07Å; V310-I364 HydrophobicContact CG1-CG1 3.98Å; V310-I364 WeakPolarHBondContact O-CG1 3.4Å; V310-I364 PolarHBondContact O-N 2.8Å; R312-I364 HydrophobicContact CB-CG2 4.17Å; I333-I364 HydrophobicContact CD1-CD1 3.91Å; I333-I364 HydrophobicContact CG2-CD1 4.18Å |
Retrieved 364 of 364 residues in 101.5 ms
(Link to these results)